5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-ol

• ChemBase ID: 836174
• Molecular Formular: C11H8N6O2
• Molecular Mass: 256.22022
• Monoisotopic Mass: 256.07087353
• SMILES: n1c(noc1c1ncc(nc1)O)c1nnc(cc1)C
• Canonical SMILES: Oc1ncc(nc1)c1onc(n1)c1ccc(nn1)C
• InChI: InChI=1S/C11H8N6O2/c1-6-2-3-7(16-15-6)10-14-11(19-17-10)8-4-13-9(18)5-12-8/h2-5H,1H3,(H,13,18)
• InChIKey: IEKPYRXNQZWDCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-ol
• IUPAC Traditional name: 5-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyrazin-2-ol
• Synonyms: 5-[3-(6-methyl-3-pyridazinyl)-1,2,4-oxadiazol-5-yl]-2-pyrazinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.158196
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 0.68525
• LogD (pH = 7.4): 0.68454015
• Log P: 0.68527645
• Molar Refractivity: 86.7213 cm^3
• Polarizability: 24.884062 Å^3
• Polar Surface Area: 110.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 1
• Log P: 0.54
• LOG S: -1.53
• Polar Surface Area: 110.71 Å^2
• Rotatable Bonds: 2