5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol

C145H125Cl4N39O8S — CID 158064837

About 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol (PubChem CID 158064837) has the molecular formula C145H125Cl4N39O8S and a molecular weight of 2715.74 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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol
• PubChem CID: 158064837
• Molecular Formula: C145H125Cl4N39O8S
• Molecular Weight: 2715.74 g/mol
• Exact Mass: 2711.90
• IUPAC Name: 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;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(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.Oc1ccc(Nc2n[nH]c(-c3cccc(Cl)c3)n2)cc1
• InChI: InChI=1S/C20H17ClN6OS.2C20H16ClN5O.C20H18N6O.C20H17N5O.C16H16N4O.C15H14N4O.C14H11ClN4O/c1-12-10-17(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;1-10-3-2-4-11(9-10)14-17-15(19-18-14)16-12-5-7-13(20)8-6-12;15-10-3-1-2-9(8-10)13-17-14(19-18-13)16-11-4-6-12(20)7-5-11/h3-11H,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);2-9,20H,1H3,(H2,16,17,18,19);1-8,20H,(H2,16,17,18,19)
• InChIKey: FLCDUQNWASCTHB-UHFFFAOYSA-N
• XLogP: 35.55
• TPSA: 628.00 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 40
• Rotatable Bonds: 36
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2715.74
LogP ≤ 5	35.55
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	40

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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol (CID 158064837) is 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;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(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.Oc1ccc(Nc2n[nH]c(-c3cccc(Cl)c3)n2)cc1.

What is the InChIKey of 5-(3-chlorophenyl)-N-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol?

The InChIKey is FLCDUQNWASCTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6OS.2C20H16ClN5O.C20H18N6O.C20H17N5O.C16H16N4O.C15H14N4O.C14H11ClN4O/c1-12-10-17(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;1-10-3-2-4-11(9-10)14-17-15(19-18-14)16-12-5-7-13(20)8-6-12;15-10-3-1-2-9(8-10)13-17-14(19-18-13)16-11-4-6-12(20)7-5-11/h3-11H,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);2-9,20H,1H3,(H2,16,17,18,19);1-8,20H,(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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol has a molecular weight of 2715.74 g/mol, XLogP of 35.55, 36 rotatable bonds, 19 hydrogen bond donors, and 40 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;4-[[5-(3-chlorophenyl)-1H-1,2,4-triazol-3-yl]amino]phenol;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-(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;4-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]amino]phenol is sourced from PubChem (CID 158064837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).