N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine

C148H130Cl2FN35O7 — CID 159771479

About N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine

N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 159771479) has the molecular formula C148H130Cl2FN35O7 and a molecular weight of 2600.81 g/mol. Its IUPAC name is N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
• PubChem CID: 159771479
• Molecular Formula: C148H130Cl2FN35O7
• Molecular Weight: 2600.81 g/mol
• Exact Mass: 2598.03
• IUPAC Name: N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine
• SMILES: Cc1c(F)ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C.Cc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Cc1cc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)cc(C)c1Cl.Cc1ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)cc1C.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C.c1cc2c(c(Nc3n[nH]c(-c4ccc(Oc5ccncc5)cc4)n3)c1)CCCC2
• InChI: InChI=1S/C23H21N5O.C21H18ClN5O.C21H18FN5O.3C21H19N5O.C20H16ClN5O/c1-2-6-20-16(4-1)5-3-7-21(20)25-23-26-22(27-28-23)17-8-10-18(11-9-17)29-19-12-14-24-15-13-19;1-13-11-16(12-14(2)19(13)22)24-21-25-20(26-27-21)15-3-5-17(6-4-15)28-18-7-9-23-10-8-18;1-13-14(2)19(8-7-18(13)22)24-21-25-20(26-27-21)15-3-5-16(6-4-15)28-17-9-11-23-12-10-17;1-14-3-6-17(13-15(14)2)23-21-24-20(25-26-21)16-4-7-18(8-5-16)27-19-9-11-22-12-10-19;1-14-11-15(2)13-17(12-14)23-21-24-20(25-26-21)16-3-5-18(6-4-16)27-19-7-9-22-10-8-19;1-14-4-3-5-19(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;1-13-3-2-4-15(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/h3,5,7-15H,1-2,4,6H2,(H2,25,26,27,28);2*3-12H,1-2H3,(H2,24,25,26,27);3*3-13H,1-2H3,(H2,23,24,25,26);2-12H,1H3,(H2,23,24,25,26)
• InChIKey: NGDXZZDYRXZPJA-UHFFFAOYSA-N
• XLogP: 36.54
• TPSA: 530.04 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2600.81
LogP ≤ 5	36.54
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?

The IUPAC name of N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine (CID 159771479) is N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?

The canonical SMILES for N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine is Cc1c(F)ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C.Cc1cc(C)cc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1.Cc1cc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)cc(C)c1Cl.Cc1ccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)cc1C.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(Cl)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)cc3)n2)c1C.c1cc2c(c(Nc3n[nH]c(-c4ccc(Oc5ccncc5)cc4)n3)c1)CCCC2.

What is the InChIKey of N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?

The InChIKey is NGDXZZDYRXZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C21H18ClN5O.C21H18FN5O.3C21H19N5O.C20H16ClN5O/c1-2-6-20-16(4-1)5-3-7-21(20)25-23-26-22(27-28-23)17-8-10-18(11-9-17)29-19-12-14-24-15-13-19;1-13-11-16(12-14(2)19(13)22)24-21-25-20(26-27-21)15-3-5-17(6-4-15)28-18-7-9-23-10-8-18;1-13-14(2)19(8-7-18(13)22)24-21-25-20(26-27-21)15-3-5-16(6-4-15)28-17-9-11-23-12-10-17;1-14-3-6-17(13-15(14)2)23-21-24-20(25-26-21)16-4-7-18(8-5-16)27-19-9-11-22-12-10-19;1-14-11-15(2)13-17(12-14)23-21-24-20(25-26-21)16-3-5-18(6-4-16)27-19-7-9-22-10-8-19;1-14-4-3-5-19(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;1-13-3-2-4-15(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/h3,5,7-15H,1-2,4,6H2,(H2,25,26,27,28);2*3-12H,1-2H3,(H2,24,25,26,27);3*3-13H,1-2H3,(H2,23,24,25,26);2-12H,1H3,(H2,23,24,25,26).

What are the key properties of N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine?

N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 2600.81 g/mol, XLogP of 36.54, 35 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-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;N-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,4-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(3,5-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;N-(4-fluoro-2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine;5-(4-pyridin-4-yloxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159771479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).