1H-imidazole-2-carbohydrazide

• ChemBase ID: 811108
• Molecular Formular: C4H6N4O
• Molecular Mass: 126.11664
• Monoisotopic Mass: 126.05416083
• SMILES: [nH]1c(ncc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1ncc[nH]1
• InChI: InChI=1S/C4H6N4O/c5-8-4(9)3-6-1-2-7-3/h1-2H,5H2,(H,6,7)(H,8,9)
• InChIKey: ICBDCZOMGFWNRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-imidazole-2-carbohydrazide
• IUPAC Traditional name: 1H-imidazole-2-carbohydrazide
• Synonyms: 1H-IMIDAZOLE-2-CARBOHYDRAZIDE

Database IDs

• CAS Number: 68251-67-2

CALCULATED PROPERTIES

• Acid pKa: 9.665165
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.2161232
• LogD (pH = 7.4): -1.2158134
• Log P: -1.2135147
• Molar Refractivity: 32.0525 cm^3
• Polarizability: 11.500599 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%