4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C80H100F2N28O8 — CID 157134519

About 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 157134519) has the molecular formula C80H100F2N28O8 and a molecular weight of 1619.86 g/mol. Its IUPAC name is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

Molecular Properties

• Compound Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 157134519
• Molecular Formula: C80H100F2N28O8
• Molecular Weight: 1619.86 g/mol
• Exact Mass: 1618.82
• IUPAC Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: CC1CC(C)CN(CCNC(=O)c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1.CCN(CC)CCCOc1c(OC)cc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)cc(OC)c1OCCCN1CCOCC1.Nc1nc(Nc2cc(F)ccc2F)nn1-c1ccccn1
• InChI: InChI=1S/C23H30N8O.C22H29N7O4.C22H31N7O3.C13H10F2N6/c1-16-13-17(2)15-30(14-16)12-11-26-21(32)18-6-8-19(9-7-18)27-23-28-22(24)31(29-23)20-5-3-4-10-25-20;1-30-17-14-16(25-22-26-21(23)29(27-22)19-6-3-4-7-24-19)15-18(31-2)20(17)33-11-5-8-28-9-12-32-13-10-28;1-5-28(6-2)12-9-13-32-20-17(30-3)14-16(15-18(20)31-4)25-22-26-21(23)29(27-22)19-10-7-8-11-24-19;14-8-4-5-9(15)10(7-8)18-13-19-12(16)21(20-13)11-3-1-2-6-17-11/h3-10,16-17H,11-15H2,1-2H3,(H,26,32)(H3,24,27,28,29);3-4,6-7,14-15H,5,8-13H2,1-2H3,(H3,23,25,26,27);7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3,(H3,23,25,26,27);1-7H,(H3,16,18,19,20)
• InChIKey: AJLSMTNTIUNRMO-UHFFFAOYSA-N
• XLogP: 10.18
• TPSA: 430.03 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1619.86
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The IUPAC name of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 157134519) is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine.

What is the SMILES notation for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The canonical SMILES for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is CC1CC(C)CN(CCNC(=O)c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)C1.CCN(CC)CCCOc1c(OC)cc(Nc2nc(N)n(-c3ccccn3)n2)cc1OC.COc1cc(Nc2nc(N)n(-c3ccccn3)n2)cc(OC)c1OCCCN1CCOCC1.Nc1nc(Nc2cc(F)ccc2F)nn1-c1ccccn1.

What is the InChIKey of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is AJLSMTNTIUNRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O.C22H29N7O4.C22H31N7O3.C13H10F2N6/c1-16-13-17(2)15-30(14-16)12-11-26-21(32)18-6-8-19(9-7-18)27-23-28-22(24)31(29-23)20-5-3-4-10-25-20;1-30-17-14-16(25-22-26-21(23)29(27-22)19-6-3-4-7-24-19)15-18(31-2)20(17)33-11-5-8-28-9-12-32-13-10-28;1-5-28(6-2)12-9-13-32-20-17(30-3)14-16(15-18(20)31-4)25-22-26-21(23)29(27-22)19-10-7-8-11-24-19;14-8-4-5-9(15)10(7-8)18-13-19-12(16)21(20-13)11-3-1-2-6-17-11/h3-10,16-17H,11-15H2,1-2H3,(H,26,32)(H3,24,27,28,29);3-4,6-7,14-15H,5,8-13H2,1-2H3,(H3,23,25,26,27);7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3,(H3,23,25,26,27);1-7H,(H3,16,18,19,20).

What are the key properties of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1619.86 g/mol, XLogP of 10.18, 32 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]benzamide;3-N-[4-[3-(diethylamino)propoxy]-3,5-dimethoxyphenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-(2,5-difluorophenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[3,5-dimethoxy-4-(3-morpholin-4-ylpropoxy)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157134519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).