pyrazine-2,5-diamine

• ChemBase ID: 288109
• Molecular Formular: C4H6N4
• Molecular Mass: 110.11724
• Monoisotopic Mass: 110.05924621
• SMILES: Nc1ncc(N)nc1
• Canonical SMILES: Nc1ncc(nc1)N
• InChI: InChI=1S/C4H6N4/c5-3-1-7-4(6)2-8-3/h1-2H,(H2,6,7)(H2,5,8)
• InChIKey: AZSMRYOBGTVCKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2,5-diamine
• IUPAC Traditional name: pyrazine-2,5-diamine
• Synonyms: Pyrazine-2,5-diamine; 2,5-PYRAZINEDIAMINE

Database IDs

• CAS Number: 768386-37-4
• MDL Number: MFCD09835012
• PubChem SID: 180673640
• PubChem CID: 2763275

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9315417
• LogD (pH = 7.4): -0.93104225
• Log P: -0.9310359
• Molar Refractivity: 31.772 cm^3
• Polarizability: 10.841375 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%