N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide

C86H77F6N21O4 — CID 158330298

About N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 158330298) has the molecular formula C86H77F6N21O4 and a molecular weight of 1582.69 g/mol. Its IUPAC name is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 158330298
• Molecular Formula: C86H77F6N21O4
• Molecular Weight: 1582.69 g/mol
• Exact Mass: 1581.64
• IUPAC Name: N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide
• SMILES: Cc1ccccc1C(=O)N(C(=O)c1ccccc1)c1nc(N)n(-c2ccccc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(C)(C)c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(N[C@H](C)c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.Cn1cnc(-c2nc(N)n(-c3ccccc3)n2)c1
• InChI: InChI=1S/C26H24F3N5O.C25H22F3N5O.C23H19N5O2.C12H12N6/c1-17-9-7-8-12-21(17)22(35)30-24-31-23(32-25(2,3)18-10-5-4-6-11-18)33-34(24)20-15-13-19(14-16-20)26(27,28)29;1-16-8-6-7-11-21(16)22(34)30-24-31-23(29-17(2)18-9-4-3-5-10-18)32-33(24)20-14-12-19(13-15-20)25(26,27)28;1-16-10-8-9-15-19(16)21(30)27(20(29)17-11-4-2-5-12-17)23-25-22(24)28(26-23)18-13-6-3-7-14-18;1-17-7-10(14-8-17)11-15-12(13)18(16-11)9-5-3-2-4-6-9/h4-16H,1-3H3,(H2,30,31,32,33,35);3-15,17H,1-2H3,(H2,29,30,31,32,34);2-15H,1H3,(H2,24,25,26);2-8H,1H3,(H2,13,15,16)/t;17-;;/m.1../s1
• InChIKey: GPXNCQAALGPNST-QSPMGRJTSA-N
• XLogP: 17.11
• TPSA: 312.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1582.69
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The IUPAC name of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide (CID 158330298) is N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide.

What is the SMILES notation for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The canonical SMILES for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide is Cc1ccccc1C(=O)N(C(=O)c1ccccc1)c1nc(N)n(-c2ccccc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(C)(C)c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(N[C@H](C)c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1.Cn1cnc(-c2nc(N)n(-c3ccccc3)n2)c1.

What is the InChIKey of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?

The InChIKey is GPXNCQAALGPNST-QSPMGRJTSA-N. The full InChI is InChI=1S/C26H24F3N5O.C25H22F3N5O.C23H19N5O2.C12H12N6/c1-17-9-7-8-12-21(17)22(35)30-24-31-23(32-25(2,3)18-10-5-4-6-11-18)33-34(24)20-15-13-19(14-16-20)26(27,28)29;1-16-8-6-7-11-21(16)22(34)30-24-31-23(29-17(2)18-9-4-3-5-10-18)32-33(24)20-14-12-19(13-15-20)25(26,27)28;1-16-10-8-9-15-19(16)21(30)27(20(29)17-11-4-2-5-12-17)23-25-22(24)28(26-23)18-13-6-3-7-14-18;1-17-7-10(14-8-17)11-15-12(13)18(16-11)9-5-3-2-4-6-9/h4-16H,1-3H3,(H2,30,31,32,33,35);3-15,17H,1-2H3,(H2,29,30,31,32,34);2-15H,1H3,(H2,24,25,26);2-8H,1H3,(H2,13,15,16)/t;17-;;/m.1../s1.

What are the key properties of N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide?

N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1582.69 g/mol, XLogP of 17.11, 18 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-N-benzoyl-2-methylbenzamide;5-(1-methylimidazol-4-yl)-2-phenyl-1,2,4-triazol-3-amine;2-methyl-N-[5-[[(1R)-1-phenylethyl]amino]-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(2-phenylpropan-2-ylamino)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 158330298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).