4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine

C93H107N31O — CID 161101944

About 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine

4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine (PubChem CID 161101944) has the molecular formula C93H107N31O and a molecular weight of 1675.09 g/mol. Its IUPAC name is 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine
• PubChem CID: 161101944
• Molecular Formula: C93H107N31O
• Molecular Weight: 1675.09 g/mol
• Exact Mass: 1673.93
• IUPAC Name: 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine
• SMILES: CC(C)CN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CC1C=CC(C)N1c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN(CCC#N)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN(c1cc(-n2cnc(Nc3ccccc3)n2)ccn1)C1CCCCC1.COCCN(c1cc(-n2cnc(Nc3ccccc3)n2)ccn1)C(C)C
• InChI: InChI=1S/C20H24N6.C19H24N6O.C19H20N6.C18H22N6.C17H17N7/c1-25(17-10-6-3-7-11-17)19-14-18(12-13-21-19)26-15-22-20(24-26)23-16-8-4-2-5-9-16;1-15(2)24(11-12-26-3)18-13-17(9-10-20-18)25-14-21-19(23-25)22-16-7-5-4-6-8-16;1-14-8-9-15(2)25(14)18-12-17(10-11-20-18)24-13-21-19(23-24)22-16-6-4-3-5-7-16;1-14(2)12-23(3)17-11-16(9-10-19-17)24-13-20-18(22-24)21-15-7-5-4-6-8-15;1-23(11-5-9-18)16-12-15(8-10-19-16)24-13-20-17(22-24)21-14-6-3-2-4-7-14/h2,4-5,8-9,12-15,17H,3,6-7,10-11H2,1H3,(H,23,24);4-10,13-15H,11-12H2,1-3H3,(H,22,23);3-15H,1-2H3,(H,22,23);4-11,13-14H,12H2,1-3H3,(H,21,22);2-4,6-8,10,12-13H,5,11H2,1H3,(H,21,22)
• InChIKey: UINXIGAACFMNEB-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 327.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1675.09
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine?

The IUPAC name of 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine (CID 161101944) is 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine.

What is the SMILES notation for 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine?

The canonical SMILES for 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine is CC(C)CN(C)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CC1C=CC(C)N1c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN(CCC#N)c1cc(-n2cnc(Nc3ccccc3)n2)ccn1.CN(c1cc(-n2cnc(Nc3ccccc3)n2)ccn1)C1CCCCC1.COCCN(c1cc(-n2cnc(Nc3ccccc3)n2)ccn1)C(C)C.

What is the InChIKey of 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine?

The InChIKey is UINXIGAACFMNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6.C19H24N6O.C19H20N6.C18H22N6.C17H17N7/c1-25(17-10-6-3-7-11-17)19-14-18(12-13-21-19)26-15-22-20(24-26)23-16-8-4-2-5-9-16;1-15(2)24(11-12-26-3)18-13-17(9-10-20-18)25-14-21-19(23-25)22-16-7-5-4-6-8-16;1-14-8-9-15(2)25(14)18-12-17(10-11-20-18)24-13-21-19(23-24)22-16-6-4-3-5-7-16;1-14(2)12-23(3)17-11-16(9-10-19-17)24-13-20-18(22-24)21-15-7-5-4-6-8-15;1-23(11-5-9-18)16-12-15(8-10-19-16)24-13-20-17(22-24)21-14-6-3-2-4-7-14/h2,4-5,8-9,12-15,17H,3,6-7,10-11H2,1H3,(H,23,24);4-10,13-15H,11-12H2,1-3H3,(H,22,23);3-15H,1-2H3,(H,22,23);4-11,13-14H,12H2,1-3H3,(H,21,22);2-4,6-8,10,12-13H,5,11H2,1H3,(H,21,22).

What are the key properties of 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine?

4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine has a molecular weight of 1675.09 g/mol, XLogP of 17.25, 29 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-anilino-1,2,4-triazol-1-yl)-N-cyclohexyl-N-methylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine;4-(3-anilino-1,2,4-triazol-1-yl)-N-methyl-N-(2-methylpropyl)pyridin-2-amine;3-[[4-(3-anilino-1,2,4-triazol-1-yl)-2-pyridinyl]-methylamino]propanenitrile;1-[2-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-4-pyridinyl]-N-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 161101944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).