4-(1-cyclohexyl-1H-1,2,3-triazole-4-carbonyl)morpholine

• ChemBase ID: 355265
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: c1(nnn(c1)C1CCCCC1)C(=O)N1CCOCC1
• Canonical SMILES: O=C(c1nnn(c1)C1CCCCC1)N1CCOCC1
• InChI: InChI=1S/C13H20N4O2/c18-13(16-6-8-19-9-7-16)12-10-17(15-14-12)11-4-2-1-3-5-11/h10-11H,1-9H2
• InChIKey: RRFSEHFHVBLAJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-cyclohexyl-1H-1,2,3-triazole-4-carbonyl)morpholine
• IUPAC Traditional name: 4-(1-cyclohexyl-1,2,3-triazole-4-carbonyl)morpholine
• Synonyms: 4-[(1-cyclohexyl-1H-1,2,3-triazol-4-yl)carbonyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2848427
• LogD (pH = 7.4): 1.2848428
• Log P: 1.2848428
• Molar Refractivity: 81.9069 cm^3
• Polarizability: 26.731289 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.59
• LOG S: -1.91
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 2