2-(1H-imidazol-1-yl)propanehydrazide

• ChemBase ID: 307760
• Molecular Formular: C6H10N4O
• Molecular Mass: 154.1698
• Monoisotopic Mass: 154.08546096
• SMILES: n1(C(C(=O)NN)C)cncc1
• Canonical SMILES: NNC(=O)C(n1cncc1)C
• InChI: InChI=1S/C6H10N4O/c1-5(6(11)9-7)10-3-2-8-4-10/h2-5H,7H2,1H3,(H,9,11)
• InChIKey: PVXAXHKUVLHXAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-imidazol-1-yl)propanehydrazide
• IUPAC Traditional name: 2-(imidazol-1-yl)propanehydrazide
• Synonyms: 2-(1H-imidazol-1-yl)propanohydrazide

Database IDs

• CAS Number: 1256642-95-1
• MDL Number: MFCD04497302

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5016122
• LogD (pH = 7.4): -1.0344756
• Log P: -0.9782189
• Molar Refractivity: 40.7943 cm^3
• Polarizability: 15.338172 Å^3
• Polar Surface Area: 72.94 Å^2