5-methylpyrazin-2-amine

• ChemBase ID: 53130
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: c1(cnc(cn1)N)C
• Canonical SMILES: Cc1ncc(nc1)N
• InChI: InChI=1S/C5H7N3/c1-4-2-8-5(6)3-7-4/h2-3H,1H3,(H2,6,8)
• InChIKey: ZNQOALAKPLGUPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyrazin-2-amine
• IUPAC Traditional name: 5-methylpyrazin-2-amine
• Synonyms: 5-Methylpyrazin-2-amine; 2-Pyrazinamine, 5-methyl-; 5-methylpyrazin-2-ylamine; 5-Methylpyrazin-2-amine; 2-Amino-5-methylpyrazine

Database IDs

• CAS Number: 5521-58-4
• MDL Number: MFCD08437664
• PubChem SID: 162057893
• PubChem CID: 313215

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5654155
• LogD (pH = 7.4): -0.56520003
• Log P: -0.5651973
• Molar Refractivity: 31.3496 cm^3
• Polarizability: 11.443614 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111-115°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%; min 98%