3-methoxy-6-methylpyridazine

• ChemBase ID: 804983
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1nc(ccc1C)OC
• Canonical SMILES: COc1ccc(nn1)C
• InChI: InChI=1S/C6H8N2O/c1-5-3-4-6(9-2)8-7-5/h3-4H,1-2H3
• InChIKey: HYTYPAQYQLIQSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-6-methylpyridazine
• IUPAC Traditional name: 3-methoxy-6-methylpyridazine
• Synonyms: 3-METHOXY-6-METHYLPYRIDAZINE

Database IDs

• CAS Number: 17644-83-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.3437364
• LogD (pH = 7.4): 0.34395707
• Log P: 0.34395987
• Molar Refractivity: 35.1326 cm^3
• Polarizability: 12.840512 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%