3-{5-[1-(4-chloro-1H-pyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}pyridazine

• ChemBase ID: 615752
• Molecular Formular: C11H9ClN6O
• Molecular Mass: 276.68176
• Monoisotopic Mass: 276.05263662
• SMILES: n1c(C(n2ncc(c2)Cl)C)onc1c1nnccc1
• Canonical SMILES: Clc1cnn(c1)C(c1onc(n1)c1cccnn1)C
• InChI: InChI=1S/C11H9ClN6O/c1-7(18-6-8(12)5-14-18)11-15-10(17-19-11)9-3-2-4-13-16-9/h2-7H,1H3
• InChIKey: DRVSVTVUEJLHMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4903265
• LogD (pH = 7.4): 1.4903398
• Log P: 1.49034
• Molar Refractivity: 91.5613 cm^3
• Polarizability: 25.951872 Å^3
• Polar Surface Area: 82.52 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.62
• LOG S: -2.6
• Polar Surface Area: 82.52 Å^2
• Rotatable Bonds: 3