3-ethylpyrazin-2-amine

• ChemBase ID: 294552
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Nc1nccnc1CC
• Canonical SMILES: CCc1nccnc1N
• InChI: InChI=1S/C6H9N3/c1-2-5-6(7)9-4-3-8-5/h3-4H,2H2,1H3,(H2,7,9)
• InChIKey: RFYCVSAKGBHBFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpyrazin-2-amine
• IUPAC Traditional name: 3-ethylpyrazin-2-amine
• Synonyms: 3-Ethylpyrazin-2-amine

Database IDs

• CAS Number: 93035-02-0
• MDL Number: MFCD13193279
• PubChem SID: 180680083
• PubChem CID: 18704782

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.13510743
• LogD (pH = 7.4): 0.13533564
• Log P: 0.13533856
• Molar Refractivity: 35.9765 cm^3
• Polarizability: 13.281477 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%