4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine

C76H90N30O4 — CID 157443235

About 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)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-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (PubChem CID 157443235) has the molecular formula C76H90N30O4 and a molecular weight of 1487.76 g/mol. Its IUPAC name is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)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-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• PubChem CID: 157443235
• Molecular Formula: C76H90N30O4
• Molecular Weight: 1487.76 g/mol
• Exact Mass: 1486.78
• IUPAC Name: 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
• SMILES: CC(c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1)N1CCOCC1.CN(c1ccc(N2CCOCC2)cc1)c1nc(N)n(-c2ccccn2)n1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC1.Nc1nc(Nc2ccc(C(=O)N3CCC(N)C3)cc2)nn1-c1ccccn1
• InChI: InChI=1S/C21H26N8O.C19H23N7O.C18H20N8O.C18H21N7O/c1-27-13-10-17(11-14-27)28(2)19(30)15-6-8-16(9-7-15)24-21-25-20(22)29(26-21)18-5-3-4-12-23-18;1-14(25-10-12-27-13-11-25)15-5-7-16(8-6-15)22-19-23-18(20)26(24-19)17-4-2-3-9-21-17;19-13-8-10-25(11-13)16(27)12-4-6-14(7-5-12)22-18-23-17(20)26(24-18)15-3-1-2-9-21-15;1-23(14-5-7-15(8-6-14)24-10-12-26-13-11-24)18-21-17(19)25(22-18)16-4-2-3-9-20-16/h3-9,12,17H,10-11,13-14H2,1-2H3,(H3,22,24,25,26);2-9,14H,10-13H2,1H3,(H3,20,22,23,24);1-7,9,13H,8,10-11,19H2,(H3,20,22,23,24);2-9H,10-13H2,1H3,(H2,19,21,22)
• InChIKey: BRXQIBQHUPQLMG-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 412.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1487.76
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', '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-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)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-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine (CID 157443235) is 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)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-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)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-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is CC(c1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1)N1CCOCC1.CN(c1ccc(N2CCOCC2)cc1)c1nc(N)n(-c2ccccn2)n1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc(N)n(-c4ccccn4)n3)cc2)CC1.Nc1nc(Nc2ccc(C(=O)N3CCC(N)C3)cc2)nn1-c1ccccn1.

What is the InChIKey of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine?

The InChIKey is BRXQIBQHUPQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O.C19H23N7O.C18H20N8O.C18H21N7O/c1-27-13-10-17(11-14-27)28(2)19(30)15-6-8-16(9-7-15)24-21-25-20(22)29(26-21)18-5-3-4-12-23-18;1-14(25-10-12-27-13-11-25)15-5-7-16(8-6-15)22-19-23-18(20)26(24-19)17-4-2-3-9-21-17;19-13-8-10-25(11-13)16(27)12-4-6-14(7-5-12)22-18-23-17(20)26(24-18)15-3-1-2-9-21-15;1-23(14-5-7-15(8-6-14)24-10-12-26-13-11-24)18-21-17(19)25(22-18)16-4-2-3-9-20-16/h3-9,12,17H,10-11,13-14H2,1-2H3,(H3,22,24,25,26);2-9,14H,10-13H2,1H3,(H3,20,22,23,24);1-7,9,13H,8,10-11,19H2,(H3,20,22,23,24);2-9H,10-13H2,1H3,(H2,19,21,22).

What are the key properties of 4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)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-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine has a molecular weight of 1487.76 g/mol, XLogP of 7.55, 18 rotatable bonds, 8 hydrogen bond donors, and 32 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-methyl-N-(1-methylpiperidin-4-yl)benzamide;[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]-(3-aminopyrrolidin-1-yl)methanone;3-N-methyl-3-N-(4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(1-morpholin-4-ylethyl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 157443235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).