N-cyclohexyl-N-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-5-carboxamide

• ChemBase ID: 460338
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: C(=O)(c1[nH]nnc1)N(Cc1ncccc1)C1CCCCC1
• Canonical SMILES: O=C(N(C1CCCCC1)Cc1ccccn1)c1cnn[nH]1
• InChI: InChI=1S/C15H19N5O/c21-15(14-10-17-19-18-14)20(13-7-2-1-3-8-13)11-12-6-4-5-9-16-12/h4-6,9-10,13H,1-3,7-8,11H2,(H,17,18,19)
• InChIKey: FLSKEIHRYOTONR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-5-carboxamide
• IUPAC Traditional name: N-cyclohexyl-N-(pyridin-2-ylmethyl)-3H-1,2,3-triazole-4-carboxamide
• Synonyms: N-cyclohexyl-N-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 6.126372
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3939494
• LogD (pH = 7.4): 0.36696032
• Log P: 1.4178807
• Molar Refractivity: 79.7994 cm^3
• Polarizability: 29.971668 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.79
• LOG S: -0.66
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4