3-(6-methoxypyridin-3-yl)-6-(pyrrolidin-1-yl)pyridazine

• ChemBase ID: 532968
• Molecular Formular: C14H16N4O
• Molecular Mass: 256.30304
• Monoisotopic Mass: 256.13241115
• SMILES: n1nc(c2cnc(cc2)OC)ccc1N1CCCC1
• Canonical SMILES: COc1ccc(cn1)c1ccc(nn1)N1CCCC1
• InChI: InChI=1S/C14H16N4O/c1-19-14-7-4-11(10-15-14)12-5-6-13(17-16-12)18-8-2-3-9-18/h4-7,10H,2-3,8-9H2,1H3
• InChIKey: ORDZEVKMLZXKGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(6-methoxypyridin-3-yl)-6-(pyrrolidin-1-yl)pyridazine
• IUPAC Traditional name: 3-(6-methoxypyridin-3-yl)-6-(pyrrolidin-1-yl)pyridazine
• Synonyms: 3-(6-methoxypyridin-3-yl)-6-pyrrolidin-1-ylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.1321676
• LogD (pH = 7.4): 2.1362398
• Log P: 2.1362917
• Molar Refractivity: 75.4315 cm^3
• Polarizability: 28.895859 Å^3
• Polar Surface Area: 51.14 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: 1.49
• LOG S: -2.34
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3