3-[5-(4-propyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]pyridazine

• ChemBase ID: 372420
• Molecular Formular: C11H10N6OS
• Molecular Mass: 274.3017
• Monoisotopic Mass: 274.06367997
• SMILES: c1(nc(no1)c1nnccc1)c1c(nns1)CCC
• Canonical SMILES: CCCc1nnsc1c1onc(n1)c1cccnn1
• InChI: InChI=1S/C11H10N6OS/c1-2-4-7-9(19-17-15-7)11-13-10(16-18-11)8-5-3-6-12-14-8/h3,5-6H,2,4H2,1H3
• InChIKey: CUUZHMFXQQIBTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[5-(4-propyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]pyridazine
• IUPAC Traditional name: 3-[5-(4-propyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]pyridazine
• Synonyms: 3-[5-(4-propyl-1,2,3-thiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.7103266
• LogD (pH = 7.4): 1.7103283
• Log P: 1.7103283
• Molar Refractivity: 92.4227 cm^3
• Polarizability: 26.701176 Å^3
• Polar Surface Area: 90.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.19
• LOG S: -3.07
• Polar Surface Area: 90.48 Å^2
• Rotatable Bonds: 4