6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine

C67H72ClF3N28O7 — CID 158592424

About 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine

6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine (PubChem CID 158592424) has the molecular formula C67H72ClF3N28O7 and a molecular weight of 1473.95 g/mol. Its IUPAC name is 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine
• PubChem CID: 158592424
• Molecular Formula: C67H72ClF3N28O7
• Molecular Weight: 1473.95 g/mol
• Exact Mass: 1472.58
• IUPAC Name: 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine
• SMILES: COc1ccc(C(=O)NCCN(C)C)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccc(Cl)c(Nc2nc(N)n(-c3ccccn3)n2)c1.COc1ccc(OC)c(Nc2nc(N)n(-c3cccc(C(F)(F)F)n3)n2)c1.NC(=O)c1ccc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)nc1
• InChI: InChI=1S/C19H24N8O2.C18H20N8O2.C16H15F3N6O2.C14H13ClN6O/c1-26(2)11-10-22-17(28)13-7-8-15(29-3)14(12-13)23-19-24-18(20)27(25-19)16-6-4-5-9-21-16;19-16(27)12-1-6-15(21-11-12)26-17(20)23-18(24-26)22-13-2-4-14(5-3-13)25-7-9-28-10-8-25;1-26-9-6-7-11(27-2)10(8-9)21-15-23-14(20)25(24-15)13-5-3-4-12(22-13)16(17,18)19;1-22-9-5-6-10(15)11(8-9)18-14-19-13(16)21(20-14)12-4-2-3-7-17-12/h4-9,12H,10-11H2,1-3H3,(H,22,28)(H3,20,23,24,25);1-6,11H,7-10H2,(H2,19,27)(H3,20,22,23,24);3-8H,1-2H3,(H3,20,21,23,24);2-8H,1H3,(H3,16,18,19,20)
• InChIKey: HUPKGUIOTFBMMQ-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 451.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1473.95
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine?

The IUPAC name of 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine (CID 158592424) is 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine is COc1ccc(C(=O)NCCN(C)C)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccc(Cl)c(Nc2nc(N)n(-c3ccccn3)n2)c1.COc1ccc(OC)c(Nc2nc(N)n(-c3cccc(C(F)(F)F)n3)n2)c1.NC(=O)c1ccc(-n2nc(Nc3ccc(N4CCOCC4)cc3)nc2N)nc1.

What is the InChIKey of 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine?

The InChIKey is HUPKGUIOTFBMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2.C18H20N8O2.C16H15F3N6O2.C14H13ClN6O/c1-26(2)11-10-22-17(28)13-7-8-15(29-3)14(12-13)23-19-24-18(20)27(25-19)16-6-4-5-9-21-16;19-16(27)12-1-6-15(21-11-12)26-17(20)23-18(24-26)22-13-2-4-14(5-3-13)25-7-9-28-10-8-25;1-26-9-6-7-11(27-2)10(8-9)21-15-23-14(20)25(24-15)13-5-3-4-12(22-13)16(17,18)19;1-22-9-5-6-10(15)11(8-9)18-14-19-13(16)21(20-14)12-4-2-3-7-17-12/h4-9,12H,10-11H2,1-3H3,(H,22,28)(H3,20,23,24,25);1-6,11H,7-10H2,(H2,19,27)(H3,20,22,23,24);3-8H,1-2H3,(H3,20,21,23,24);2-8H,1H3,(H3,16,18,19,20).

What are the key properties of 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine?

6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine has a molecular weight of 1473.95 g/mol, XLogP of 7.89, 22 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-amino-3-(4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide;3-N-(2-chloro-5-methoxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-dimethoxyphenyl)-1-[6-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158592424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).