N-cyclobutyl-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine

• ChemBase ID: 319474
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(c2c(OC)cccc2OC)nc(nnc1)NC1CCC1
• Canonical SMILES: COc1cccc(c1c1cnnc(n1)NC1CCC1)OC
• InChI: InChI=1S/C15H18N4O2/c1-20-12-7-4-8-13(21-2)14(12)11-9-16-19-15(18-11)17-10-5-3-6-10/h4,7-10H,3,5-6H2,1-2H3,(H,17,18,19)
• InChIKey: QBGFQZSPKYYPEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
• IUPAC Traditional name: N-cyclobutyl-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
• Synonyms: N-cyclobutyl-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.422268
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.8493826
• LogD (pH = 7.4): 1.8493954
• Log P: 1.849396
• Molar Refractivity: 82.2282 cm^3
• Polarizability: 31.428028 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.86
• LOG S: -3.46
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 3