(6-methylpyrazin-2-yl)methanamine

• ChemBase ID: 801453
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: NCc1cncc(n1)C
• Canonical SMILES: Cc1cncc(n1)CN
• InChI: InChI=1S/C6H9N3/c1-5-3-8-4-6(2-7)9-5/h3-4H,2,7H2,1H3
• InChIKey: ZNOZUQRBTVMBQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylpyrazin-2-yl)methanamine
• IUPAC Traditional name: (6-methylpyrazin-2-yl)methanamine
• Synonyms: (6-METHYLPYRAZIN-2-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.7165956
• LogD (pH = 7.4): -2.0611622
• Log P: -1.1234885
• Molar Refractivity: 34.2869 cm^3
• Polarizability: 13.662597 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%