N-(1-carbamoylcyclopentyl)-3-(4H-1,2,4-triazol-4-yl)benzamide

• ChemBase ID: 607650
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: n1(c2cc(C(=O)NC3(C(=O)N)CCCC3)ccc2)cnnc1
• Canonical SMILES: NC(=O)C1(CCCC1)NC(=O)c1cccc(c1)n1cnnc1
• InChI: InChI=1S/C15H17N5O2/c16-14(22)15(6-1-2-7-15)19-13(21)11-4-3-5-12(8-11)20-9-17-18-10-20/h3-5,8-10H,1-2,6-7H2,(H2,16,22)(H,19,21)
• InChIKey: AQJXPZWWQNXNFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-3-(4H-1,2,4-triazol-4-yl)benzamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-3-(1,2,4-triazol-4-yl)benzamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-3-(4H-1,2,4-triazol-4-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.119627
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.10402886
• LogD (pH = 7.4): 0.104163006
• Log P: 0.10416472
• Molar Refractivity: 92.5575 cm^3
• Polarizability: 30.916552 Å^3
• Polar Surface Area: 102.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.37
• LOG S: -2.38
• Polar Surface Area: 102.9 Å^2
• Rotatable Bonds: 4