2-methyl-3-(propan-2-yl)pyrazine

• ChemBase ID: 797030
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(c(nccn1)C(C)C)C
• Canonical SMILES: CC(c1nccnc1C)C
• InChI: InChI=1S/C8H12N2/c1-6(2)8-7(3)9-4-5-10-8/h4-6H,1-3H3
• InChIKey: LNSYLBDZKBWDNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-(propan-2-yl)pyrazine
• IUPAC Traditional name: 2-isopropyl-3-methylpyrazine
• Synonyms: 2-Isopropyl-3-Methylpyrazine

Database IDs

• CAS Number: 15986-81-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0441281
• LogD (pH = 7.4): 1.044163
• Log P: 1.0441635
• Molar Refractivity: 40.1286 cm^3
• Polarizability: 15.747916 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%