6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C94H104N40O7 — CID 158698733

About 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 158698733) has the molecular formula C94H104N40O7 and a molecular weight of 1906.14 g/mol. Its IUPAC name is 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 158698733
• Molecular Formula: C94H104N40O7
• Molecular Weight: 1906.14 g/mol
• Exact Mass: 1904.90
• IUPAC Name: 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C(N)=O)cn2)n1.COc1ccc(OC(C)C)c(Nc2nc(N)n(-c3ccccn3)n2)c1.Cc1nc(Nc2ccccc2)cc(-n2nc(Nc3cccc(N)c3)nc2N)n1.Nc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c1.Nc1nc(Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)nn1-c1ccccn1
• InChI: InChI=1S/C21H26N8O2.C19H19N9.C19H22N8O3.C18H17N9.C17H20N6O2/c22-20-26-21(27-29(20)18-4-1-2-9-23-18)25-17-7-5-16(6-8-17)19(30)24-10-3-11-28-12-14-31-15-13-28;1-12-22-16(24-14-7-3-2-4-8-14)11-17(23-12)28-18(21)26-19(27-28)25-15-9-5-6-13(20)10-15;1-29-15-10-13(26-6-8-30-9-7-26)3-4-14(15)23-19-24-18(21)27(25-19)16-5-2-12(11-22-16)17(20)28;19-12-5-4-8-14(9-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-6-2-1-3-7-13;1-11(2)25-14-8-7-12(24-3)10-13(14)20-17-21-16(18)23(22-17)15-6-4-5-9-19-15/h1-2,4-9H,3,10-15H2,(H,24,30)(H3,22,25,26,27);2-11H,20H2,1H3,(H,22,23,24)(H3,21,25,26,27);2-5,10-11H,6-9H2,1H3,(H2,20,28)(H3,21,23,24,25);1-11H,19H2,(H,21,22,23)(H3,20,24,25,26);4-11H,1-3H3,(H3,18,20,21,22)
• InChIKey: IHGNLDGNWTWYCL-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 634.95 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 45
• Rotatable Bonds: 30
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1906.14
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The IUPAC name of 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 158698733) is 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C(N)=O)cn2)n1.COc1ccc(OC(C)C)c(Nc2nc(N)n(-c3ccccn3)n2)c1.Cc1nc(Nc2ccccc2)cc(-n2nc(Nc3cccc(N)c3)nc2N)n1.Nc1cccc(Nc2nc(N)n(-c3cc(Nc4ccccc4)ncn3)n2)c1.Nc1nc(Nc2ccc(C(=O)NCCCN3CCOCC3)cc2)nn1-c1ccccn1.

What is the InChIKey of 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is IHGNLDGNWTWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2.C19H19N9.C19H22N8O3.C18H17N9.C17H20N6O2/c22-20-26-21(27-29(20)18-4-1-2-9-23-18)25-17-7-5-16(6-8-17)19(30)24-10-3-11-28-12-14-31-15-13-28;1-12-22-16(24-14-7-3-2-4-8-14)11-17(23-12)28-18(21)26-19(27-28)25-15-9-5-6-13(20)10-15;1-29-15-10-13(26-6-8-30-9-7-26)3-4-14(15)23-19-24-18(21)27(25-19)16-5-2-12(11-22-16)17(20)28;19-12-5-4-8-14(9-12)24-18-25-17(20)27(26-18)16-10-15(21-11-22-16)23-13-6-2-1-3-7-13;1-11(2)25-14-8-7-12(24-3)10-13(14)20-17-21-16(18)23(22-17)15-6-4-5-9-19-15/h1-2,4-9H,3,10-15H2,(H,24,30)(H3,22,25,26,27);2-11H,20H2,1H3,(H,22,23,24)(H3,21,25,26,27);2-5,10-11H,6-9H2,1H3,(H2,20,28)(H3,21,23,24,25);1-11H,19H2,(H,21,22,23)(H3,20,24,25,26);4-11H,1-3H3,(H3,18,20,21,22).

What are the key properties of 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1906.14 g/mol, XLogP of 10.88, 30 rotatable bonds, 16 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-amino-3-(2-methoxy-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyridine-3-carboxamide;3-N-(3-aminophenyl)-1-(6-anilino-2-methylpyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;3-N-(3-aminophenyl)-1-(6-anilinopyrimidin-4-yl)-1,2,4-triazole-3,5-diamine;4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide;3-N-(5-methoxy-2-propan-2-yloxyphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 158698733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).