3-methylpyrazin-2-amine

• ChemBase ID: 66687
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(c(nccn1)C)N
• Canonical SMILES: Cc1nccnc1N
• InChI: InChI=1S/C5H7N3/c1-4-5(6)8-3-2-7-4/h2-3H,1H3,(H2,6,8)
• InChIKey: VQPHZDDLWFHRHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyrazin-2-amine
• IUPAC Traditional name: 3-methylpyrazin-2-amine
• Synonyms: 2-Amino-3-methylpyrazine; 3-methylpyrazin-2-amine

Database IDs

• CAS Number: 19838-08-5
• MDL Number: MFCD08705770
• PubChem SID: 162032424
• PubChem CID: 302284

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.56546617
• LogD (pH = 7.4): -0.5652007
• Log P: -0.5651973
• Molar Refractivity: 31.3496 cm^3
• Polarizability: 11.444242 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%; 98%