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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 158388902) has the molecular formula C165H145Cl3N46O10S3
and a molecular weight of 3134.85 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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine (CID 158388902) 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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine is COc1cc(-c2nc(Nc3cccc(C)c3)n[nH]2)ccc1Oc1ccncc1.COc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)ccn1.COc1nc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)c2cc[nH]c2n1.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(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)c(Cl)c3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3Cl)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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is GWRVEEDVFQARFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2.2C21H19N5O2.C21H19N5O.C20H18ClN7OS.2C20H16ClN5O.C20H19N7S2/c1-13-4-3-5-15(12-13)24-21-25-18(28-29-21)14-6-8-16(9-7-14)31-20-17-10-11-23-19(17)26-22(27-20)30-2;1-14-4-3-5-16(12-14)23-21-24-20(25-26-21)15-6-8-17(9-7-15)28-18-10-11-22-19(13-18)27-2;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;1-14-4-3-5-17(12-14)23-21-24-20(25-26-21)16-6-8-18(9-7-16)27-19-10-11-22-15(2)13-19;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;1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-6-18(17(21)12-14)27-16-7-9-22-10-8-16;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/h3-12H,1-2H3,(H,23,26,27)(H2,24,25,28,29);2*3-13H,1-2H3,(H2,23,24,25,26);3-13H,1-2H3,(H2,23,24,25,26);3-10H,1-2H3,(H2,22,24,25)(H2,23,26,27,28);2*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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 3134.85 g/mol, XLogP of 39.62, 45 rotatable bonds, 19 hydrogen bond donors, and 50 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-(3-chloro-4-pyridin-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;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-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-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 158388902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).