5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)

C167H147Cl3N44O9S — CID 159675777

About 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)

5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) (PubChem CID 159675777) has the molecular formula C167H147Cl3N44O9S and a molecular weight of 3052.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol).

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)
• PubChem CID: 159675777
• Molecular Formula: C167H147Cl3N44O9S
• Molecular Weight: 3052.74 g/mol
• Exact Mass: 3049.12
• IUPAC Name: 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)
• SMILES: COc1ccc(Nc2n[nH]c(-c3cccc(C)c3)n2)cc1.CSc1nc(C)cc(Oc2ccc(Nc3n[nH]c(-c4cccc(Cl)c4)n3)cc2)n1.Cc1cccc(-c2nc(Nc3ccc(O)cc3)n[nH]2)c1.Cc1cccc(-c2nc(Nc3ccc(O)cc3)n[nH]2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(Cl)ccn4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(N)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C
• InChI: InChI=1S/C21H19N5O.C20H17ClN6OS.2C20H16ClN5O.C20H18N6O.C20H17N5O.C16H16N4O.2C15H14N4O/c1-14-4-3-5-19(15(14)2)23-21-24-20(25-26-21)16-6-8-17(9-7-16)27-18-10-12-22-13-11-18;1-12-10-17(24-20(22-12)29-2)28-16-8-6-15(7-9-16)23-19-25-18(26-27-19)13-4-3-5-14(21)11-13;1-13-3-2-4-16(11-13)23-20-24-19(25-26-20)14-5-7-17(8-6-14)27-18-12-15(21)9-10-22-18;2*1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-7-16(8-6-14)27-17-9-10-22-18(21)12-17;1-14-3-2-4-16(13-14)22-20-23-19(24-25-20)15-5-7-17(8-6-15)26-18-9-11-21-12-10-18;1-11-4-3-5-12(10-11)15-18-16(20-19-15)17-13-6-8-14(21-2)9-7-13;2*1-10-3-2-4-11(9-10)14-17-15(19-18-14)16-12-5-7-13(20)8-6-12/h3-13H,1-2H3,(H2,23,24,25,26);3-11H,1-2H3,(H2,23,25,26,27);2*2-12H,1H3,(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H2,23,24,25,26);2-13H,1H3,(H2,22,23,24,25);3-10H,1-2H3,(H2,17,18,19,20);2*2-9,20H,1H3,(H2,16,17,18,19)
• InChIKey: MUOSBFXNYBMTGH-UHFFFAOYSA-N
• XLogP: 40.22
• TPSA: 703.72 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 45
• Rotatable Bonds: 41
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3052.74
LogP ≤ 5	40.22
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)?

The IUPAC name of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) (CID 159675777) is 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol).

What is the SMILES notation for 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)?

The canonical SMILES for 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) is COc1ccc(Nc2n[nH]c(-c3cccc(C)c3)n2)cc1.CSc1nc(C)cc(Oc2ccc(Nc3n[nH]c(-c4cccc(Cl)c4)n3)cc2)n1.Cc1cccc(-c2nc(Nc3ccc(O)cc3)n[nH]2)c1.Cc1cccc(-c2nc(Nc3ccc(O)cc3)n[nH]2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(Cl)ccn4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(N)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C.

What is the InChIKey of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)?

The InChIKey is MUOSBFXNYBMTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O.C20H17ClN6OS.2C20H16ClN5O.C20H18N6O.C20H17N5O.C16H16N4O.2C15H14N4O/c1-14-4-3-5-19(15(14)2)23-21-24-20(25-26-21)16-6-8-17(9-7-16)27-18-10-12-22-13-11-18;1-12-10-17(24-20(22-12)29-2)28-16-8-6-15(7-9-16)23-19-25-18(26-27-19)13-4-3-5-14(21)11-13;1-13-3-2-4-16(11-13)23-20-24-19(25-26-20)14-5-7-17(8-6-14)27-18-12-15(21)9-10-22-18;2*1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-7-16(8-6-14)27-17-9-10-22-18(21)12-17;1-14-3-2-4-16(13-14)22-20-23-19(24-25-20)15-5-7-17(8-6-15)26-18-9-11-21-12-10-18;1-11-4-3-5-12(10-11)15-18-16(20-19-15)17-13-6-8-14(21-2)9-7-13;2*1-10-3-2-4-11(9-10)14-17-15(19-18-14)16-12-5-7-13(20)8-6-12/h3-13H,1-2H3,(H2,23,24,25,26);3-11H,1-2H3,(H2,23,25,26,27);2*2-12H,1H3,(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H2,23,24,25,26);2-13H,1H3,(H2,22,23,24,25);3-10H,1-2H3,(H2,17,18,19,20);2*2-9,20H,1H3,(H2,16,17,18,19).

What are the key properties of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol)?

5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) has a molecular weight of 3052.74 g/mol, XLogP of 40.22, 41 rotatable bonds, 21 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;5-[4-[(2-chloro-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(4-chloro-2-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-methoxyphenyl)-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyridin-2-amine;N-(3-methylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;bis(4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol) is sourced from PubChem (CID 159675777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).