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

• ChemBase ID: 605068
• Molecular Formular: C15H18N6O2
• Molecular Mass: 314.34242
• Monoisotopic Mass: 314.14912385
• SMILES: c1(c2nc(no2)c2nnc(cc2)C)n(nc(c1)C)CCOCC
• Canonical SMILES: CCOCCn1nc(cc1c1onc(n1)c1ccc(nn1)C)C
• InChI: InChI=1S/C15H18N6O2/c1-4-22-8-7-21-13(9-11(3)19-21)15-16-14(20-23-15)12-6-5-10(2)17-18-12/h5-6,9H,4,7-8H2,1-3H3
• InChIKey: FGOUZCBZZWJDPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0685046
• LogD (pH = 7.4): 1.0685725
• Log P: 1.0685735
• Molar Refractivity: 118.2772 cm^3
• Polarizability: 32.572136 Å^3
• Polar Surface Area: 91.75 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.31
• LOG S: -2.61
• Polar Surface Area: 91.75 Å^2
• Rotatable Bonds: 6