2-ethyl-5-methylpyrazine

• ChemBase ID: 294271
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: CCc1cnc(C)cn1
• Canonical SMILES: CCc1cnc(cn1)C
• InChI: InChI=1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
• InChIKey: OXCKCFJIKRGXMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-5-methylpyrazine
• IUPAC Traditional name: pyrazine, 2-ethyl-5-methyl-
• Synonyms: 2-Ethyl-5-methylpyrazine

Database IDs

• CAS Number: 13360-64-0
• MDL Number: MFCD09039261
• PubChem SID: 180679802
• PubChem CID: 25915

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.5011371
• LogD (pH = 7.4): 0.50117666
• Log P: 0.50117713
• Molar Refractivity: 35.5541 cm^3
• Polarizability: 13.90454 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%