N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-(4-methyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 712020
• Molecular Formular: C10H14N6O
• Molecular Mass: 234.25776
• Monoisotopic Mass: 234.1229091
• SMILES: n1c(cnn1CC)NC(=O)Cn1cnc(c1)C
• Canonical SMILES: CCn1ncc(n1)NC(=O)Cn1cnc(c1)C
• InChI: InChI=1S/C10H14N6O/c1-3-16-12-4-9(14-16)13-10(17)6-15-5-8(2)11-7-15/h4-5,7H,3,6H2,1-2H3,(H,13,14,17)
• InChIKey: QYEPZTLHVVCJMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-(4-methyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-(2-ethyl-1,2,3-triazol-4-yl)-2-(4-methylimidazol-1-yl)acetamide
• Synonyms: N-(2-ethyl-2H-1,2,3-triazol-4-yl)-2-(4-methyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.845513
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.97518206
• LogD (pH = 7.4): -0.22984193
• Log P: -0.17446734
• Molar Refractivity: 75.757 cm^3
• Polarizability: 22.976295 Å^3
• Polar Surface Area: 77.63 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: -0.22
• LOG S: -1.83
• Polar Surface Area: 77.63 Å^2
• Rotatable Bonds: 4