2-methylpyrimidine-5-carbohydrazide

• ChemBase ID: 309529
• Molecular Formular: C6H8N4O
• Molecular Mass: 152.15392
• Monoisotopic Mass: 152.0698109
• SMILES: c1(C(=O)NN)cnc(nc1)C
• Canonical SMILES: NNC(=O)c1cnc(nc1)C
• InChI: InChI=1S/C6H8N4O/c1-4-8-2-5(3-9-4)6(11)10-7/h2-3H,7H2,1H3,(H,10,11)
• InChIKey: RCIGCRJCIPEEIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrimidine-5-carbohydrazide
• IUPAC Traditional name: 2-methylpyrimidine-5-carbohydrazide
• Synonyms: 2-methyl-5-pyrimidinecarbohydrazide

Database IDs

• MDL Number: MFCD00223569

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.83127373
• LogD (pH = 7.4): -0.83060706
• Log P: -0.8305963
• Molar Refractivity: 40.9092 cm^3
• Polarizability: 14.621763 Å^3
• Polar Surface Area: 80.9 Å^2