6-methylpyrazin-2-amine

• ChemBase ID: 67560
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(cncc(n1)C)N
• Canonical SMILES: Cc1cncc(n1)N
• InChI: InChI=1S/C5H7N3/c1-4-2-7-3-5(6)8-4/h2-3H,1H3,(H2,6,8)
• InChIKey: UAOOJJPSCLNTOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyrazin-2-amine
• IUPAC Traditional name: pyrazinamine, 6-methyl-
• Synonyms: 6-Methylpyrazin-2-amine; 2-Amino-6-methylpyrazine 97%; 2-Amino-6-methylpyrazine

Database IDs

• CAS Number: 5521-56-2
• MDL Number: MFCD08235193
• PubChem SID: 162033295
• PubChem CID: 12236939

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.56672204
• LogD (pH = 7.4): -0.56521654
• Log P: -0.5651973
• Molar Refractivity: 31.3496 cm^3
• Polarizability: 11.444196 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%