pyrimidine-4-carbohydrazide

• ChemBase ID: 811115
• Molecular Formular: C5H6N4O
• Molecular Mass: 138.12734
• Monoisotopic Mass: 138.05416083
• SMILES: c1c(ncnc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccncn1
• InChI: InChI=1S/C5H6N4O/c6-9-5(10)4-1-2-7-3-8-4/h1-3H,6H2,(H,9,10)
• InChIKey: NWTQBXDLKZTWAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrimidine-4-carbohydrazide
• IUPAC Traditional name: pyrimidine-4-carbohydrazide
• Synonyms: PYRIMIDINE-4-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 39513-54-7

CALCULATED PROPERTIES

• Acid pKa: 13.326503
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0108026
• LogD (pH = 7.4): -1.010257
• Log P: -1.0102496
• Molar Refractivity: 35.9128 cm^3
• Polarizability: 12.874561 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%