6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine

C76H91N27O11 — CID 159245304

About 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine

6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine (PubChem CID 159245304) has the molecular formula C76H91N27O11 and a molecular weight of 1558.74 g/mol. Its IUPAC name is 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine
• PubChem CID: 159245304
• Molecular Formula: C76H91N27O11
• Molecular Weight: 1558.74 g/mol
• Exact Mass: 1557.74
• IUPAC Name: 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine
• SMILES: COc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1OCCCN1CC(C)OC(C)C1.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1OCCCN1CCOCC1.COc1cc(OC)c(OC)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccc(OC)c(Nc2nc(N)n(-c3ccc(C#N)cn3)n2)c1
• InChI: InChI=1S/C23H31N7O3.C21H27N7O3.C16H15N7O2.C16H18N6O3/c1-16-14-29(15-17(2)33-16)11-6-12-32-19-9-8-18(13-20(19)31-3)26-23-27-22(24)30(28-23)21-7-4-5-10-25-21;1-29-18-15-16(6-7-17(18)31-12-4-9-27-10-13-30-14-11-27)24-21-25-20(22)28(26-21)19-5-2-3-8-23-19;1-24-11-4-5-13(25-2)12(7-11)20-16-21-15(18)23(22-16)14-6-3-10(8-17)9-19-14;1-23-11-9-13(25-3)12(24-2)8-10(11)19-16-20-15(17)22(21-16)14-6-4-5-7-18-14/h4-5,7-10,13,16-17H,6,11-12,14-15H2,1-3H3,(H3,24,26,27,28);2-3,5-8,15H,4,9-14H2,1H3,(H3,22,24,25,26);3-7,9H,1-2H3,(H3,18,20,21,22);4-9H,1-3H3,(H3,17,19,20,21)
• InChIKey: KUPKXBAERZUVEK-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 458.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1558.74
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The IUPAC name of 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine (CID 159245304) is 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine is COc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1OCCCN1CC(C)OC(C)C1.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)ccc1OCCCN1CCOCC1.COc1cc(OC)c(OC)cc1Nc1nc(N)n(-c2ccccn2)n1.COc1ccc(OC)c(Nc2nc(N)n(-c3ccc(C#N)cn3)n2)c1.

What is the InChIKey of 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

The InChIKey is KUPKXBAERZUVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O3.C21H27N7O3.C16H15N7O2.C16H18N6O3/c1-16-14-29(15-17(2)33-16)11-6-12-32-19-9-8-18(13-20(19)31-3)26-23-27-22(24)30(28-23)21-7-4-5-10-25-21;1-29-18-15-16(6-7-17(18)31-12-4-9-27-10-13-30-14-11-27)24-21-25-20(22)28(26-21)19-5-2-3-8-23-19;1-24-11-4-5-13(25-2)12(7-11)20-16-21-15(18)23(22-16)14-6-3-10(8-17)9-19-14;1-23-11-9-13(25-3)12(24-2)8-10(11)19-16-20-15(17)22(21-16)14-6-4-5-7-18-14/h4-5,7-10,13,16-17H,6,11-12,14-15H2,1-3H3,(H3,24,26,27,28);2-3,5-8,15H,4,9-14H2,1H3,(H3,22,24,25,26);3-7,9H,1-2H3,(H3,18,20,21,22);4-9H,1-3H3,(H3,17,19,20,21).

What are the key properties of 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine?

6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine has a molecular weight of 1558.74 g/mol, XLogP of 8.86, 29 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-amino-3-(2,5-dimethoxyanilino)-1,2,4-triazol-1-yl]pyridine-3-carbonitrile;3-N-[4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3-methoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;1-pyridin-2-yl-3-N-(2,4,5-trimethoxyphenyl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 159245304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).