pyrazine-2-carbohydrazide

• ChemBase ID: 34623
• Molecular Formular: C5H6N4O
• Molecular Mass: 138.12734
• Monoisotopic Mass: 138.05416083
• SMILES: c1cncc(n1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cnccn1
• InChI: InChI=1S/C5H6N4O/c6-9-5(10)4-3-7-1-2-8-4/h1-3H,6H2,(H,9,10)
• InChIKey: OHFIJHDYYOCZME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazine-2-carbohydrazide
• IUPAC Traditional name: pyrazine-2-carbohydrazide
• Synonyms: Pyrazine-2-carbohydrazide; 2-pyrazinecarbohydrazide; Pyrazinoic acid hydrazide

Database IDs

• CAS Number: 768-05-8
• MDL Number: MFCD00778762
• PubChem SID: 160997930
• PubChem CID: 258796

CALCULATED PROPERTIES

• Acid pKa: 12.982794
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5225929
• LogD (pH = 7.4): -1.5220915
• Log P: -1.5220841
• Molar Refractivity: 34.9347 cm^3
• Polarizability: 12.871855 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170 - 172°C
• Hydrophobicity(logP): -1.164

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%