3-methyl-6-(3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazol-3-yl}phenyl)pyridazine

• ChemBase ID: 671127
• Molecular Formular: C18H16N6O
• Molecular Mass: 332.35924
• Monoisotopic Mass: 332.13855916
• SMILES: n1n(Cc2nnc(o2)C)ccc1c1cc(c2nnc(cc2)C)ccc1
• Canonical SMILES: Cc1ccc(nn1)c1cccc(c1)c1ccn(n1)Cc1nnc(o1)C
• InChI: InChI=1S/C18H16N6O/c1-12-6-7-16(21-19-12)14-4-3-5-15(10-14)17-8-9-24(23-17)11-18-22-20-13(2)25-18/h3-10H,11H2,1-2H3
• InChIKey: MBMBKUONXCEBTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-6-(3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazol-3-yl}phenyl)pyridazine
• IUPAC Traditional name: 3-methyl-6-(3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-3-yl}phenyl)pyridazine
• Synonyms: 3-methyl-6-(3-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrazol-3-yl}phenyl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3017346
• LogD (pH = 7.4): 1.303309
• Log P: 1.3033291
• Molar Refractivity: 106.0936 cm^3
• Polarizability: 37.248703 Å^3
• Polar Surface Area: 82.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.42
• LOG S: -1.98
• Polar Surface Area: 82.52 Å^2
• Rotatable Bonds: 4