3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-phenylpyridazine

• ChemBase ID: 483437
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: N1(c2nnc(cc2)c2ccccc2)CC(N2C(C)CCCC2)C1
• Canonical SMILES: CC1CCCCN1C1CN(C1)c1ccc(nn1)c1ccccc1
• InChI: InChI=1S/C19H24N4/c1-15-7-5-6-12-23(15)17-13-22(14-17)19-11-10-18(20-21-19)16-8-3-2-4-9-16/h2-4,8-11,15,17H,5-7,12-14H2,1H3
• InChIKey: LSCVOYNFBIRFIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-phenylpyridazine
• IUPAC Traditional name: 3-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-6-phenylpyridazine
• Synonyms: 3-[3-(2-methyl-1-piperidinyl)-1-azetidinyl]-6-phenylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0764496
• LogD (pH = 7.4): 2.8509486
• Log P: 3.6852083
• Molar Refractivity: 95.5518 cm^3
• Polarizability: 37.334896 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.09
• LOG S: -3.08
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3