4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C341H361Cl2N91O26S8 — CID 158399122

IUPAC4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCNc1cccc(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)NCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Nc2nnc3cc(-c4c(C)noc4C)cc(C)c3n2)cc1.Cc1cc(-c2cccc(N)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cccc([N+](=O)[O-])c2)cc2nnc(N)nc12.Cc1cc(-c2cccc([N+](=O)[O-])c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cnccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1sccc1C.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(Cl)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cn[nH]c1.Cc1ccncc1-c1cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc2cc1C.Cc1ccncc1-c1cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc2cc1C.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nnc2c1
InChIInChI=1S/C28H29N7O2S.C27H31N7O2S.C26H27N7O4S.C26H29N7O2S.C26H31N7O2.C26H27N7O.C26H28N6O.C25H24ClN7O.C25H27N7O2.C25H27N5OS.C24H25ClN6O2S2.C23H26N8O2S.C20H19N5O2.C14H11N5O2/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35;1-19-16-21(20-6-5-7-23(17-20)28-2)18-25-26(19)31-27(33-32-25)30-22-8-10-24(11-9-22)37(35,36)29-12-15-34-13-3-4-14-34;1-18-15-20(19-5-4-6-22(16-19)33(34)35)17-24-25(18)29-26(31-30-24)28-21-7-9-23(10-8-21)38(36,37)27-11-14-32-12-2-3-13-32;1-18-15-20(19-5-4-6-21(27)16-19)17-24-25(18)30-26(32-31-24)29-22-7-9-23(10-8-22)36(34,35)28-11-14-33-12-2-3-13-33;1-17-15-20(24-18(2)31-35-19(24)3)16-23-25(17)28-26(30-29-23)27-21-5-7-22(8-6-21)34-14-13-33-11-9-32(4)10-12-33;1-17-8-9-27-16-22(17)21-15-24-23(14-18(21)2)29-26(31-30-24)28-20-6-4-19(5-7-20)25(34)33-12-10-32(3)11-13-33;1-18-9-10-27-17-23(18)22-16-25-24(15-19(22)2)29-26(31-30-25)28-20-5-7-21(8-6-20)33-14-13-32-11-3-4-12-32;1-16-13-22-23(14-19(16)20-15-27-8-7-21(20)26)30-31-25(29-22)28-18-5-3-17(4-6-18)24(34)33-11-9-32(2)10-12-33;1-15-13-19(22-16(2)30-34-17(22)3)14-21-23(15)27-25(29-28-21)26-20-7-5-18(6-8-20)24(33)32-11-9-31(4)10-12-32;1-17-9-14-32-24(17)21-16-23-22(15-18(21)2)27-25(29-28-23)26-19-5-7-20(8-6-19)31-13-12-30-10-3-4-11-30;1-16-14-20-21(15-19(16)22-8-9-23(25)34-22)29-30-24(28-20)27-17-4-6-18(7-5-17)35(32,33)26-10-13-31-11-2-3-12-31;1-16-12-21-22(13-20(16)17-14-24-25-15-17)29-30-23(28-21)27-18-4-6-19(7-5-18)34(32,33)26-8-11-31-9-2-3-10-31;1-11-9-14(18-12(2)25-27-13(18)3)10-17-19(11)22-20(24-23-17)21-15-5-7-16(26-4)8-6-15;1-8-5-10(7-12-13(8)16-14(15)18-17-12)9-3-2-4-11(6-9)19(20)21/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34);5-11,16-18,28-29H,3-4,12-15H2,1-2H3,(H,30,31,33);4-10,15-17,27H,2-3,11-14H2,1H3,(H,28,29,31);4-10,15-17,28H,2-3,11-14,27H2,1H3,(H,29,30,32);5-8,15-16H,9-14H2,1-4H3,(H,27,28,30);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,29,31);3-8,13-15H,9-12H2,1-2H3,(H,28,29,31);5-8,13-14H,9-12H2,1-4H3,(H,26,27,29);5-9,14-16H,3-4,10-13H2,1-2H3,(H,26,27,29);4-9,14-15,26H,2-3,10-13H2,1H3,(H,27,28,30);4-7,12-15,26H,2-3,8-11H2,1H3,(H,24,25)(H,27,28,30);5-10H,1-4H3,(H,21,22,24);2-7H,1H3,(H2,15,16,18)
InChIKeyGXWRCATZSRZYNN-UHFFFAOYSA-N
MW6477.69 g/mol
LogP57.24
Rot. Bonds89

About 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 158399122) has the molecular formula C341H361Cl2N91O26S8 and a molecular weight of 6477.69 g/mol. Its IUPAC name is 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID158399122
Molecular FormulaC341H361Cl2N91O26S8
Molecular Weight6477.69 g/mol
Exact Mass6471.69
IUPAC Name4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCNc1cccc(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)NCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Nc2nnc3cc(-c4c(C)noc4C)cc(C)c3n2)cc1.Cc1cc(-c2cccc(N)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cccc([N+](=O)[O-])c2)cc2nnc(N)nc12.Cc1cc(-c2cccc([N+](=O)[O-])c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cnccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1sccc1C.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(Cl)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cn[nH]c1.Cc1ccncc1-c1cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc2cc1C.Cc1ccncc1-c1cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc2cc1C.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nnc2c1
InChIInChI=1S/C28H29N7O2S.C27H31N7O2S.C26H27N7O4S.C26H29N7O2S.C26H31N7O2.C26H27N7O.C26H28N6O.C25H24ClN7O.C25H27N7O2.C25H27N5OS.C24H25ClN6O2S2.C23H26N8O2S.C20H19N5O2.C14H11N5O2/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35;1-19-16-21(20-6-5-7-23(17-20)28-2)18-25-26(19)31-27(33-32-25)30-22-8-10-24(11-9-22)37(35,36)29-12-15-34-13-3-4-14-34;1-18-15-20(19-5-4-6-22(16-19)33(34)35)17-24-25(18)29-26(31-30-24)28-21-7-9-23(10-8-21)38(36,37)27-11-14-32-12-2-3-13-32;1-18-15-20(19-5-4-6-21(27)16-19)17-24-25(18)30-26(32-31-24)29-22-7-9-23(10-8-22)36(34,35)28-11-14-33-12-2-3-13-33;1-17-15-20(24-18(2)31-35-19(24)3)16-23-25(17)28-26(30-29-23)27-21-5-7-22(8-6-21)34-14-13-33-11-9-32(4)10-12-33;1-17-8-9-27-16-22(17)21-15-24-23(14-18(21)2)29-26(31-30-24)28-20-6-4-19(5-7-20)25(34)33-12-10-32(3)11-13-33;1-18-9-10-27-17-23(18)22-16-25-24(15-19(22)2)29-26(31-30-25)28-20-5-7-21(8-6-20)33-14-13-32-11-3-4-12-32;1-16-13-22-23(14-19(16)20-15-27-8-7-21(20)26)30-31-25(29-22)28-18-5-3-17(4-6-18)24(34)33-11-9-32(2)10-12-33;1-15-13-19(22-16(2)30-34-17(22)3)14-21-23(15)27-25(29-28-21)26-20-7-5-18(6-8-20)24(33)32-11-9-31(4)10-12-32;1-17-9-14-32-24(17)21-16-23-22(15-18(21)2)27-25(29-28-23)26-19-5-7-20(8-6-19)31-13-12-30-10-3-4-11-30;1-16-14-20-21(15-19(16)22-8-9-23(25)34-22)29-30-24(28-20)27-17-4-6-18(7-5-17)35(32,33)26-10-13-31-11-2-3-12-31;1-16-12-21-22(13-20(16)17-14-24-25-15-17)29-30-23(28-21)27-18-4-6-19(7-5-18)34(32,33)26-8-11-31-9-2-3-10-31;1-11-9-14(18-12(2)25-27-13(18)3)10-17-19(11)22-20(24-23-17)21-15-5-7-16(26-4)8-6-15;1-8-5-10(7-12-13(8)16-14(15)18-17-12)9-3-2-4-11(6-9)19(20)21/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34);5-11,16-18,28-29H,3-4,12-15H2,1-2H3,(H,30,31,33);4-10,15-17,27H,2-3,11-14H2,1H3,(H,28,29,31);4-10,15-17,28H,2-3,11-14,27H2,1H3,(H,29,30,32);5-8,15-16H,9-14H2,1-4H3,(H,27,28,30);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,29,31);3-8,13-15H,9-12H2,1-2H3,(H,28,29,31);5-8,13-14H,9-12H2,1-4H3,(H,26,27,29);5-9,14-16H,3-4,10-13H2,1-2H3,(H,26,27,29);4-9,14-15,26H,2-3,10-13H2,1H3,(H,27,28,30);4-7,12-15,26H,2-3,8-11H2,1H3,(H,24,25)(H,27,28,30);5-10H,1-4H3,(H,21,22,24);2-7H,1H3,(H2,15,16,18)
InChIKeyGXWRCATZSRZYNN-UHFFFAOYSA-N
XLogP57.24
TPSA1426.34 Ų
H-Bond Donors24
H-Bond Acceptors106
Rotatable Bonds89
Heavy Atoms468
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006477.69
LogP ≤ 557.24
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 10106

Analyze 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 158399122) is 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is CNc1cccc(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)NCCN5CCCC5)cc4)nnc3c2)c1.COc1ccc(Nc2nnc3cc(-c4c(C)noc4C)cc(C)c3n2)cc1.Cc1cc(-c2cccc(N)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cccc([N+](=O)[O-])c2)cc2nnc(N)nc12.Cc1cc(-c2cccc([N+](=O)[O-])c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12.Cc1cc2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2cc1-c1cnccc1Cl.Cc1cc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2cc1-c1sccc1C.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(Cl)s1.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1cn[nH]c1.Cc1ccncc1-c1cc2nnc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nc2cc1C.Cc1ccncc1-c1cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc2cc1C.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)nnc2c1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nnc2c1.
What is the InChIKey of 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is GXWRCATZSRZYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2S.C27H31N7O2S.C26H27N7O4S.C26H29N7O2S.C26H31N7O2.C26H27N7O.C26H28N6O.C25H24ClN7O.C25H27N7O2.C25H27N5OS.C24H25ClN6O2S2.C23H26N8O2S.C20H19N5O2.C14H11N5O2/c1-19-17-20(23-5-4-6-25-24(23)11-12-29-25)18-26-27(19)32-28(34-33-26)31-21-7-9-22(10-8-21)38(36,37)30-13-16-35-14-2-3-15-35;1-19-16-21(20-6-5-7-23(17-20)28-2)18-25-26(19)31-27(33-32-25)30-22-8-10-24(11-9-22)37(35,36)29-12-15-34-13-3-4-14-34;1-18-15-20(19-5-4-6-22(16-19)33(34)35)17-24-25(18)29-26(31-30-24)28-21-7-9-23(10-8-21)38(36,37)27-11-14-32-12-2-3-13-32;1-18-15-20(19-5-4-6-21(27)16-19)17-24-25(18)30-26(32-31-24)29-22-7-9-23(10-8-22)36(34,35)28-11-14-33-12-2-3-13-33;1-17-15-20(24-18(2)31-35-19(24)3)16-23-25(17)28-26(30-29-23)27-21-5-7-22(8-6-21)34-14-13-33-11-9-32(4)10-12-33;1-17-8-9-27-16-22(17)21-15-24-23(14-18(21)2)29-26(31-30-24)28-20-6-4-19(5-7-20)25(34)33-12-10-32(3)11-13-33;1-18-9-10-27-17-23(18)22-16-25-24(15-19(22)2)29-26(31-30-25)28-20-5-7-21(8-6-20)33-14-13-32-11-3-4-12-32;1-16-13-22-23(14-19(16)20-15-27-8-7-21(20)26)30-31-25(29-22)28-18-5-3-17(4-6-18)24(34)33-11-9-32(2)10-12-33;1-15-13-19(22-16(2)30-34-17(22)3)14-21-23(15)27-25(29-28-21)26-20-7-5-18(6-8-20)24(33)32-11-9-31(4)10-12-32;1-17-9-14-32-24(17)21-16-23-22(15-18(21)2)27-25(29-28-23)26-19-5-7-20(8-6-19)31-13-12-30-10-3-4-11-30;1-16-14-20-21(15-19(16)22-8-9-23(25)34-22)29-30-24(28-20)27-17-4-6-18(7-5-17)35(32,33)26-10-13-31-11-2-3-12-31;1-16-12-21-22(13-20(16)17-14-24-25-15-17)29-30-23(28-21)27-18-4-6-19(7-5-18)34(32,33)26-8-11-31-9-2-3-10-31;1-11-9-14(18-12(2)25-27-13(18)3)10-17-19(11)22-20(24-23-17)21-15-5-7-16(26-4)8-6-15;1-8-5-10(7-12-13(8)16-14(15)18-17-12)9-3-2-4-11(6-9)19(20)21/h4-12,17-18,29-30H,2-3,13-16H2,1H3,(H,31,32,34);5-11,16-18,28-29H,3-4,12-15H2,1-2H3,(H,30,31,33);4-10,15-17,27H,2-3,11-14H2,1H3,(H,28,29,31);4-10,15-17,28H,2-3,11-14,27H2,1H3,(H,29,30,32);5-8,15-16H,9-14H2,1-4H3,(H,27,28,30);4-9,14-16H,10-13H2,1-3H3,(H,28,29,31);5-10,15-17H,3-4,11-14H2,1-2H3,(H,28,29,31);3-8,13-15H,9-12H2,1-2H3,(H,28,29,31);5-8,13-14H,9-12H2,1-4H3,(H,26,27,29);5-9,14-16H,3-4,10-13H2,1-2H3,(H,26,27,29);4-9,14-15,26H,2-3,10-13H2,1H3,(H,27,28,30);4-7,12-15,26H,2-3,8-11H2,1H3,(H,24,25)(H,27,28,30);5-10H,1-4H3,(H,21,22,24);2-7H,1H3,(H2,15,16,18).
What are the key properties of 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide?
4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 6477.69 g/mol, XLogP of 57.24, 89 rotatable bonds, 24 hydrogen bond donors, and 106 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(3-aminophenyl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[7-(4-chloro-3-pyridinyl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[[7-(5-chlorothiophen-2-yl)-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;[4-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[5-methyl-7-[3-(methylamino)phenyl]-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;[4-[[6-methyl-7-(4-methyl-3-pyridinyl)-1,2,4-benzotriazin-3-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;6-methyl-7-(4-methyl-3-pyridinyl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;6-methyl-7-(3-methylthiophen-2-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-amine;4-[[5-methyl-7-(3-nitrophenyl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;4-[[6-methyl-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 158399122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).