3-methoxy-6-{[1-(pyrrolidin-1-yl)hex-5-en-2-yl]oxy}pyridazine

• ChemBase ID: 670238
• Molecular Formular: C15H23N3O2
• Molecular Mass: 277.36202
• Monoisotopic Mass: 277.17902699
• SMILES: n1nc(ccc1OC(CN1CCCC1)CCC=C)OC
• Canonical SMILES: C=CCCC(Oc1ccc(nn1)OC)CN1CCCC1
• InChI: InChI=1S/C15H23N3O2/c1-3-4-7-13(12-18-10-5-6-11-18)20-15-9-8-14(19-2)16-17-15/h3,8-9,13H,1,4-7,10-12H2,2H3
• InChIKey: DWLINBBALQJUIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-6-{[1-(pyrrolidin-1-yl)hex-5-en-2-yl]oxy}pyridazine
• IUPAC Traditional name: 3-methoxy-6-{[1-(pyrrolidin-1-yl)hex-5-en-2-yl]oxy}pyridazine
• Synonyms: 3-methoxy-6-{[1-(pyrrolidin-1-ylmethyl)pent-4-en-1-yl]oxy}pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.6050401
• LogD (pH = 7.4): 0.98632896
• Log P: 2.5980647
• Molar Refractivity: 81.0668 cm^3
• Polarizability: 30.719458 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.02
• LOG S: -2.79
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 8