4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C84H95N29O3 — CID 162094850

About 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)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-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 162094850) has the molecular formula C84H95N29O3 and a molecular weight of 1558.88 g/mol. Its IUPAC name is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)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-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 162094850
• Molecular Formula: C84H95N29O3
• Molecular Weight: 1558.88 g/mol
• Exact Mass: 1557.82
• IUPAC Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: CC1CCCCN1CCCNC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.Nc1nc(Nc2ccc(C(=O)N3CCCC3)cc2)nn1-c1ccccn1.Nc1nc(Nc2ccc(C(=O)N3CCCCC3)cc2)nn1-c1ccccn1.Nc1nc(Nc2ccc(C3CCN(Cc4ccccc4)C3)cc2)nn1-c1ccccn1
• InChI: InChI=1S/C24H25N7.C23H30N8O.C19H21N7O.C18H19N7O/c25-23-28-24(29-31(23)22-8-4-5-14-26-22)27-21-11-9-19(10-12-21)20-13-15-30(17-20)16-18-6-2-1-3-7-18;1-17-7-3-5-15-30(17)16-6-14-26-21(32)18-9-11-19(12-10-18)27-23-28-22(24)31(29-23)20-8-2-4-13-25-20;20-18-23-19(24-26(18)16-6-2-3-11-21-16)22-15-9-7-14(8-10-15)17(27)25-12-4-1-5-13-25;19-17-22-18(23-25(17)15-5-1-2-10-20-15)21-14-8-6-13(7-9-14)16(26)24-11-3-4-12-24/h1-12,14,20H,13,15-17H2,(H3,25,27,28,29);2,4,8-13,17H,3,5-7,14-16H2,1H3,(H,26,32)(H3,24,27,28,29);2-3,6-11H,1,4-5,12-13H2,(H3,20,22,23,24);1-2,5-10H,3-4,11-12H2,(H3,19,21,22,23)
• InChIKey: ZECKWZBBHKIOHQ-UHFFFAOYSA-N
• XLogP: 11.80
• TPSA: 402.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1558.88
LogP ≤ 5	11.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

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-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)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-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 162094850) is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)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-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)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-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is CC1CCCCN1CCCNC(=O)c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.Nc1nc(Nc2ccc(C(=O)N3CCCC3)cc2)nn1-c1ccccn1.Nc1nc(Nc2ccc(C(=O)N3CCCCC3)cc2)nn1-c1ccccn1.Nc1nc(Nc2ccc(C3CCN(Cc4ccccc4)C3)cc2)nn1-c1ccccn1.

What is the InChIKey of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is ZECKWZBBHKIOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7.C23H30N8O.C19H21N7O.C18H19N7O/c25-23-28-24(29-31(23)22-8-4-5-14-26-22)27-21-11-9-19(10-12-21)20-13-15-30(17-20)16-18-6-2-1-3-7-18;1-17-7-3-5-15-30(17)16-6-14-26-21(32)18-9-11-19(12-10-18)27-23-28-22(24)31(29-23)20-8-2-4-13-25-20;20-18-23-19(24-26(18)16-6-2-3-11-21-16)22-15-9-7-14(8-10-15)17(27)25-12-4-1-5-13-25;19-17-22-18(23-25(17)15-5-1-2-10-20-15)21-14-8-6-13(7-9-14)16(26)24-11-3-4-12-24/h1-12,14,20H,13,15-17H2,(H3,25,27,28,29);2,4,8-13,17H,3,5-7,14-16H2,1H3,(H,26,32)(H3,24,27,28,29);2-3,6-11H,1,4-5,12-13H2,(H3,20,22,23,24);1-2,5-10H,3-4,11-12H2,(H3,19,21,22,23).

What are the key properties of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)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-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1558.88 g/mol, XLogP of 11.80, 22 rotatable bonds, 9 hydrogen bond donors, and 29 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-[3-(2-methylpiperidin-1-yl)propyl]benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-piperidin-1-ylmethanone;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone;3-N-[4-(1-benzylpyrrolidin-3-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 162094850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).