(5-methoxypyrazin-2-yl)methanamine

• ChemBase ID: 814306
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: C(N)c1cnc(cn1)OC
• Canonical SMILES: NCc1ncc(nc1)OC
• InChI: InChI=1S/C6H9N3O/c1-10-6-4-8-5(2-7)3-9-6/h3-4H,2,7H2,1H3
• InChIKey: FUWCQMCZXDHMKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methoxypyrazin-2-yl)methanamine
• IUPAC Traditional name: (5-methoxypyrazin-2-yl)methanamine
• Synonyms: (5-methoxypyrazin-2-yl)methanamine

Database IDs

• CAS Number: 1196155-28-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4069831
• LogD (pH = 7.4): -1.7499709
• Log P: -0.81807244
• Molar Refractivity: 36.4721 cm^3
• Polarizability: 14.433486 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%