N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine

C255H256N50O22S2 — CID 159235022

IUPACN-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCCCCc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1.CCOc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cc(C)ccc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)c(C)c4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccncc4)nnc3c2)c1.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(N)nc12.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(CO)s1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
InChIInChI=1S/C26H28N4O2.C25H28N6O3S2.C25H28N6O2.C24H24N4O3.3C24H24N4O2.2C23H22N4O2.C21H19N5O2.C16H13N5/c1-5-6-7-18-8-10-21(11-9-18)27-26-28-25-17(2)12-19(15-24(25)29-30-26)20-13-22(31-3)16-23(14-20)32-4;1-17-14-22-23(15-21(17)24-9-6-19(16-32)35-24)29-30-25(28-22)27-18-4-7-20(8-5-18)36(33,34)26-10-13-31-11-2-3-12-31;1-16-14-19(23-17(2)30-33-18(23)3)15-22-24(16)27-25(29-28-22)26-20-6-8-21(9-7-20)32-13-12-31-10-4-5-11-31;1-5-31-19-8-6-18(7-9-19)25-24-26-23-15(2)10-16(13-22(23)27-28-24)17-11-20(29-3)14-21(12-17)30-4;1-14-6-7-19(9-15(14)2)25-24-26-23-16(3)8-17(12-22(23)27-28-24)18-10-20(29-4)13-21(11-18)30-5;1-14-6-7-21(15(2)8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-6-7-15(2)21(8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-5-7-18(8-6-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-14-6-5-7-18(8-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-13-8-14(15-9-17(27-2)12-18(10-15)28-3)11-19-20(13)24-21(26-25-19)23-16-4-6-22-7-5-16;1-9-7-10(8-14-15(9)19-16(17)21-20-14)11-3-2-4-13-12(11)5-6-18-13/h8-16H,5-7H2,1-4H3,(H,27,28,30);4-9,14-15,26,32H,2-3,10-13,16H2,1H3,(H,27,28,30);6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,27,29);6-14H,5H2,1-4H3,(H,25,26,28);3*6-13H,1-5H3,(H,25,26,28);2*5-13H,1-4H3,(H,24,25,27);4-12H,1-3H3,(H,22,23,24,26);2-8,18H,1H3,(H2,17,19,21)
InChIKeyKTIZWEBAAHMLNH-UHFFFAOYSA-N
MW4437.31 g/mol
LogP53.25
Rot. Bonds62

About N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine

N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine (PubChem CID 159235022) has the molecular formula C255H256N50O22S2 and a molecular weight of 4437.31 g/mol. Its IUPAC name is N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine
PubChem CID159235022
Molecular FormulaC255H256N50O22S2
Molecular Weight4437.31 g/mol
Exact Mass4433.99
IUPAC NameN-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine
SMILESCCCCc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1.CCOc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cc(C)ccc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)c(C)c4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccncc4)nnc3c2)c1.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(N)nc12.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(CO)s1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
InChIInChI=1S/C26H28N4O2.C25H28N6O3S2.C25H28N6O2.C24H24N4O3.3C24H24N4O2.2C23H22N4O2.C21H19N5O2.C16H13N5/c1-5-6-7-18-8-10-21(11-9-18)27-26-28-25-17(2)12-19(15-24(25)29-30-26)20-13-22(31-3)16-23(14-20)32-4;1-17-14-22-23(15-21(17)24-9-6-19(16-32)35-24)29-30-25(28-22)27-18-4-7-20(8-5-18)36(33,34)26-10-13-31-11-2-3-12-31;1-16-14-19(23-17(2)30-33-18(23)3)15-22-24(16)27-25(29-28-22)26-20-6-8-21(9-7-20)32-13-12-31-10-4-5-11-31;1-5-31-19-8-6-18(7-9-19)25-24-26-23-15(2)10-16(13-22(23)27-28-24)17-11-20(29-3)14-21(12-17)30-4;1-14-6-7-19(9-15(14)2)25-24-26-23-16(3)8-17(12-22(23)27-28-24)18-10-20(29-4)13-21(11-18)30-5;1-14-6-7-21(15(2)8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-6-7-15(2)21(8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-5-7-18(8-6-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-14-6-5-7-18(8-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-13-8-14(15-9-17(27-2)12-18(10-15)28-3)11-19-20(13)24-21(26-25-19)23-16-4-6-22-7-5-16;1-9-7-10(8-14-15(9)19-16(17)21-20-14)11-3-2-4-13-12(11)5-6-18-13/h8-16H,5-7H2,1-4H3,(H,27,28,30);4-9,14-15,26,32H,2-3,10-13,16H2,1H3,(H,27,28,30);6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,27,29);6-14H,5H2,1-4H3,(H,25,26,28);3*6-13H,1-5H3,(H,25,26,28);2*5-13H,1-4H3,(H,24,25,27);4-12H,1-3H3,(H,22,23,24,26);2-8,18H,1H3,(H2,17,19,21)
InChIKeyKTIZWEBAAHMLNH-UHFFFAOYSA-N
XLogP53.25
TPSA865.42 Ų
H-Bond Donors14
H-Bond Acceptors71
Rotatable Bonds62
Heavy Atoms329
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004437.31
LogP ≤ 553.25
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1071

Analyze N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine (CID 159235022) is N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine is CCCCc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1.CCOc1ccc(Nc2nnc3cc(-c4cc(OC)cc(OC)c4)cc(C)c3n2)cc1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cc(C)ccc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)c(C)c4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccc(C)cc4C)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4cccc(C)c4)nnc3c2)c1.COc1cc(OC)cc(-c2cc(C)c3nc(Nc4ccncc4)nnc3c2)c1.Cc1cc(-c2cccc3[nH]ccc23)cc2nnc(N)nc12.Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1-c1ccc(CO)s1.Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1.
What is the InChIKey of N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine?
The InChIKey is KTIZWEBAAHMLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.C25H28N6O3S2.C25H28N6O2.C24H24N4O3.3C24H24N4O2.2C23H22N4O2.C21H19N5O2.C16H13N5/c1-5-6-7-18-8-10-21(11-9-18)27-26-28-25-17(2)12-19(15-24(25)29-30-26)20-13-22(31-3)16-23(14-20)32-4;1-17-14-22-23(15-21(17)24-9-6-19(16-32)35-24)29-30-25(28-22)27-18-4-7-20(8-5-18)36(33,34)26-10-13-31-11-2-3-12-31;1-16-14-19(23-17(2)30-33-18(23)3)15-22-24(16)27-25(29-28-22)26-20-6-8-21(9-7-20)32-13-12-31-10-4-5-11-31;1-5-31-19-8-6-18(7-9-19)25-24-26-23-15(2)10-16(13-22(23)27-28-24)17-11-20(29-3)14-21(12-17)30-4;1-14-6-7-19(9-15(14)2)25-24-26-23-16(3)8-17(12-22(23)27-28-24)18-10-20(29-4)13-21(11-18)30-5;1-14-6-7-21(15(2)8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-6-7-15(2)21(8-14)25-24-26-23-16(3)9-17(12-22(23)27-28-24)18-10-19(29-4)13-20(11-18)30-5;1-14-5-7-18(8-6-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-14-6-5-7-18(8-14)24-23-25-22-15(2)9-16(12-21(22)26-27-23)17-10-19(28-3)13-20(11-17)29-4;1-13-8-14(15-9-17(27-2)12-18(10-15)28-3)11-19-20(13)24-21(26-25-19)23-16-4-6-22-7-5-16;1-9-7-10(8-14-15(9)19-16(17)21-20-14)11-3-2-4-13-12(11)5-6-18-13/h8-16H,5-7H2,1-4H3,(H,27,28,30);4-9,14-15,26,32H,2-3,10-13,16H2,1H3,(H,27,28,30);6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,27,29);6-14H,5H2,1-4H3,(H,25,26,28);3*6-13H,1-5H3,(H,25,26,28);2*5-13H,1-4H3,(H,24,25,27);4-12H,1-3H3,(H,22,23,24,26);2-8,18H,1H3,(H2,17,19,21).
What are the key properties of N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine?
N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine has a molecular weight of 4437.31 g/mol, XLogP of 53.25, 62 rotatable bonds, 14 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-7-(3,5-dimethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(3-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-(4-methylphenyl)-1,2,4-benzotriazin-3-amine;7-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-4-yl-1,2,4-benzotriazin-3-amine;7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine;4-[[7-[5-(hydroxymethyl)thiophen-2-yl]-6-methyl-1,2,4-benzotriazin-3-yl]amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide;7-(1H-indol-4-yl)-5-methyl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 159235022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).