6-phenylpyrazin-2-amine

• ChemBase ID: 802303
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: c1c(nc(cn1)c1ccccc1)N
• Canonical SMILES: Nc1cncc(n1)c1ccccc1
• InChI: InChI=1S/C10H9N3/c11-10-7-12-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,13)
• InChIKey: PSEVKGFJGGKCIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylpyrazin-2-amine
• IUPAC Traditional name: 6-phenylpyrazin-2-amine
• Synonyms: 6-PHENYLPYRAZIN-2-AMINE

Database IDs

• CAS Number: 41270-69-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3363881
• LogD (pH = 7.4): 1.3365067
• Log P: 1.3365083
• Molar Refractivity: 51.5223 cm^3
• Polarizability: 20.677624 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%