2-hydrazinyl-5-methylpyrazine

• ChemBase ID: 70682
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: c1(cnc(cn1)C)NN
• Canonical SMILES: Cc1cnc(cn1)NN
• InChI: InChI=1S/C5H8N4/c1-4-2-8-5(9-6)3-7-4/h2-3H,6H2,1H3,(H,8,9)
• InChIKey: YKQUFARIFDGGNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-5-methylpyrazine
• IUPAC Traditional name: 2-hydrazinyl-5-methylpyrazine
• Synonyms: 2-Hydrazino-5-methylpyrazine; 2-Hydrazinyl-5-Methylpyrazine

Database IDs

• CAS Number: 165124-42-5
• MDL Number: MFCD09863245
• PubChem SID: 162036395
• PubChem CID: 20736299

CALCULATED PROPERTIES

• Acid pKa: 19.192913
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.3550773
• LogD (pH = 7.4): -0.34476182
• Log P: -0.34462872
• Molar Refractivity: 36.3559 cm^3
• Polarizability: 12.872415 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%