4-methyl-1H-imidazole-5-carbohydrazide

• ChemBase ID: 309838
• Molecular Formular: C5H8N4O
• Molecular Mass: 140.14322
• Monoisotopic Mass: 140.0698109
• SMILES: c1(C(=O)NN)c(nc[nH]1)C
• Canonical SMILES: Cc1nc[nH]c1C(=O)NN
• InChI: InChI=1S/C5H8N4O/c1-3-4(5(10)9-6)8-2-7-3/h2H,6H2,1H3,(H,7,8)(H,9,10)
• InChIKey: WAWTVTOLBUMOFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1H-imidazole-5-carbohydrazide
• IUPAC Traditional name: 5-methyl-3H-imidazole-4-carbohydrazide
• Synonyms: 4-methyl-1H-imidazole-5-carbohydrazide

Database IDs

• CAS Number: 71704-67-1
• MDL Number: MFCD04107872

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.656003
• LogD (pH = 7.4): -1.5415773
• Log P: -1.5396883
• Molar Refractivity: 37.0443 cm^3
• Polarizability: 13.244279 Å^3
• Polar Surface Area: 83.8 Å^2