About 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine
6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 159080091) has the molecular formula C196H166Cl2FN49O11S3
and a molecular weight of 3569.92 g/mol. Its IUPAC name is 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine.
Frequently Asked Questions
What is the IUPAC name of 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine (CID 159080091) is 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine is COc1cc(-c2nc(Nc3cccc(C)c3)n[nH]2)ccc1Oc1ccncc1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2Cl)n1.CSc1nc(N)cc(Sc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(OCc4ccncc4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(F)cc([N+](=O)[O-])c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(C)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3Cl)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cncc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4nccc5ccccc45)cc3)n2)c1.
What is the InChIKey of 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is KATAUJGWDFYWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O.2C24H19N5O.C21H16FN5O3.C21H19N5O2.C21H19N5O.C20H18ClN7OS.C20H16ClN5O.C20H19N7S2/c1-16-4-3-5-19(14-16)27-25-28-24(29-30-25)18-7-9-20(10-8-18)31-23-12-13-26-22-15-17(2)6-11-21(22)23;1-16-5-4-7-19(13-16)26-24-27-23(28-29-24)17-9-11-20(12-10-17)30-22-15-25-14-18-6-2-3-8-21(18)22;1-16-5-4-7-19(15-16)26-24-27-22(28-29-24)18-9-11-20(12-10-18)30-23-21-8-3-2-6-17(21)13-14-25-23;1-13-3-2-4-16(9-13)23-21-24-20(25-26-21)14-5-7-18(8-6-14)30-19-11-15(22)10-17(12-19)27(28)29;1-14-4-3-5-16(12-14)23-21-24-20(25-26-21)15-6-7-18(19(13-15)27-2)28-17-8-10-22-11-9-17;1-15-3-2-4-18(13-15)23-21-24-20(25-26-21)17-5-7-19(8-6-17)27-14-16-9-11-22-12-10-16;1-11-4-3-5-13(8-11)23-19-26-18(27-28-19)12-6-7-15(14(21)9-12)29-17-10-16(22)24-20(25-17)30-2;1-13-3-2-4-14(11-13)23-20-24-19(25-26-20)17-6-5-16(12-18(17)21)27-15-7-9-22-10-8-15;1-12-4-3-5-14(10-12)22-19-25-18(26-27-19)13-6-8-15(9-7-13)29-17-11-16(21)23-20(24-17)28-2/h3-15H,1-2H3,(H2,27,28,29,30);2*2-15H,1H3,(H2,26,27,28,29);2-12H,1H3,(H2,23,24,25,26);3-13H,1-2H3,(H2,23,24,25,26);2-13H,14H2,1H3,(H2,23,24,25,26);3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28);2-12H,1H3,(H2,23,24,25,26);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27).
What are the key properties of 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine?
6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 3569.92 g/mol, XLogP of 47.68, 50 rotatable bonds, 20 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;5-(2-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(3-fluoro-5-nitrophenoxy)phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-1-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(4-isoquinolin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-(3-methoxy-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenyl]sulfanyl-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-methylquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(pyridin-4-ylmethoxy)phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159080091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).