3-(2-methoxyphenyl)-6-(1-methyl-1H-imidazol-2-yl)pyridazine

• ChemBase ID: 693274
• Molecular Formular: C15H14N4O
• Molecular Mass: 266.29786
• Monoisotopic Mass: 266.11676109
• SMILES: c1(c2nnc(c3c(OC)cccc3)cc2)n(ccn1)C
• Canonical SMILES: COc1ccccc1c1ccc(nn1)c1nccn1C
• InChI: InChI=1S/C15H14N4O/c1-19-10-9-16-15(19)13-8-7-12(17-18-13)11-5-3-4-6-14(11)20-2/h3-10H,1-2H3
• InChIKey: LNMZZJUTHPUFBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-6-(1-methyl-1H-imidazol-2-yl)pyridazine
• IUPAC Traditional name: 3-(2-methoxyphenyl)-6-(1-methylimidazol-2-yl)pyridazine
• Synonyms: 3-(2-methoxyphenyl)-6-(1-methyl-1H-imidazol-2-yl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1657836
• LogD (pH = 7.4): 2.1670187
• Log P: 2.1670344
• Molar Refractivity: 87.5729 cm^3
• Polarizability: 30.90072 Å^3
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.91
• LOG S: -1.92
• Polar Surface Area: 52.83 Å^2
• Rotatable Bonds: 3