2-(2-methyl-1H-imidazol-1-yl)acetohydrazide

• ChemBase ID: 60366
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: c1(n(ccn1)CC(=O)NN)C
• Canonical SMILES: Cc1nccn1CC(=O)NN
• InChI: InChI=1S/C6H10N4O/c1-5-8-2-3-10(5)4-6(11)9-7/h2-3H,4,7H2,1H3,(H,9,11)
• InChIKey: JATIQKICGGXJOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1H-imidazol-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(2-methylimidazol-1-yl)acetohydrazide
• Synonyms: 2-(2-Methyl-1H-imidazol-1-yl)acetohydrazide

Database IDs

• MDL Number: MFCD03130404
• PubChem SID: 162026107
• PubChem CID: 5138875

CALCULATED PROPERTIES

• Acid pKa: 12.339116
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4305027
• LogD (pH = 7.4): -1.6422598
• Log P: -1.4239184
• Molar Refractivity: 40.7411 cm^3
• Polarizability: 15.264676 Å^3
• Polar Surface Area: 72.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false