N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide

C96H82F3N29O10 — CID 159163495

About N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide

N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 159163495) has the molecular formula C96H82F3N29O10 and a molecular weight of 1858.90 g/mol. Its IUPAC name is N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 159163495
• Molecular Formula: C96H82F3N29O10
• Molecular Weight: 1858.90 g/mol
• Exact Mass: 1857.68
• IUPAC Name: N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide
• SMILES: Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccc(N=[N+]=[N-])cc2)n(-c2ccccc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccc(N=[N+]=[N-])c2)n(-c2ccccc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(N3CCN(C)CC3)cc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccno2)n(-c2ccc(OC(F)(F)F)cc2)n1
• InChI: InChI=1S/C29H31N7O2.2C23H18N8O2.C21H15F3N6O4/c1-20-8-4-6-10-24(20)26(37)30-28-32-29(31-27(38)25-11-7-5-9-21(25)2)36(33-28)23-14-12-22(13-15-23)35-18-16-34(3)17-19-35;1-15-8-5-6-13-19(15)21(33)25-22-27-23(31(29-22)18-11-3-2-4-12-18)26-20(32)16-9-7-10-17(14-16)28-30-24;1-15-7-5-6-10-19(15)21(33)25-22-27-23(31(29-22)18-8-3-2-4-9-18)26-20(32)16-11-13-17(14-12-16)28-30-24;1-12-4-2-3-5-15(12)17(31)26-19-28-20(27-18(32)16-10-11-25-34-16)30(29-19)13-6-8-14(9-7-13)33-21(22,23)24/h4-15H,16-19H2,1-3H3,(H2,30,31,32,33,37,38);2*2-14H,1H3,(H2,25,26,27,29,32,33);2-11H,1H3,(H2,26,27,28,29,31,32)
• InChIKey: KKUBWNNBUVURLN-UHFFFAOYSA-N
• XLogP: 18.15
• TPSA: 494.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1858.90
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The IUPAC name of N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide (CID 159163495) is N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide.

What is the SMILES notation for N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The canonical SMILES for N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide is Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccc(N=[N+]=[N-])cc2)n(-c2ccccc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccc(N=[N+]=[N-])c2)n(-c2ccccc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(N3CCN(C)CC3)cc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccno2)n(-c2ccc(OC(F)(F)F)cc2)n1.

What is the InChIKey of N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The InChIKey is KKUBWNNBUVURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2.2C23H18N8O2.C21H15F3N6O4/c1-20-8-4-6-10-24(20)26(37)30-28-32-29(31-27(38)25-11-7-5-9-21(25)2)36(33-28)23-14-12-22(13-15-23)35-18-16-34(3)17-19-35;1-15-8-5-6-13-19(15)21(33)25-22-27-23(31(29-22)18-11-3-2-4-12-18)26-20(32)16-9-7-10-17(14-16)28-30-24;1-15-7-5-6-10-19(15)21(33)25-22-27-23(31(29-22)18-8-3-2-4-9-18)26-20(32)16-11-13-17(14-12-16)28-30-24;1-12-4-2-3-5-15(12)17(31)26-19-28-20(27-18(32)16-10-11-25-34-16)30(29-19)13-6-8-14(9-7-13)33-21(22,23)24/h4-15H,16-19H2,1-3H3,(H2,30,31,32,33,37,38);2*2-14H,1H3,(H2,25,26,27,29,32,33);2-11H,1H3,(H2,26,27,28,29,31,32).

What are the key properties of N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide?

N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1858.90 g/mol, XLogP of 18.15, 24 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-azidobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methylbenzoyl)amino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1,2-oxazole-5-carboxamide;2-methyl-N-[5-[(2-methylbenzoyl)amino]-1-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 159163495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).