2-chloro-3-hydrazinyl-5,6-dimethylpyrazine

• ChemBase ID: 283979
• Molecular Formular: C6H9ClN4
• Molecular Mass: 172.61546
• Monoisotopic Mass: 172.05157399
• SMILES: c1(nc(c(nc1Cl)C)C)NN
• Canonical SMILES: NNc1nc(C)c(nc1Cl)C
• InChI: InChI=1S/C6H9ClN4/c1-3-4(2)10-6(11-8)5(7)9-3/h8H2,1-2H3,(H,10,11)
• InChIKey: OVZDHMUEMSUKAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-hydrazinyl-5,6-dimethylpyrazine
• IUPAC Traditional name: 2-chloro-3-hydrazinyl-5,6-dimethylpyrazine
• Synonyms: 2-chloro-3-hydrazinyl-5,6-dimethylpyrazine

Database IDs

• MDL Number: MFCD21262357
• PubChem SID: 180669510
• PubChem CID: 22973128

CALCULATED PROPERTIES

• Acid pKa: 17.269426
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6027701
• LogD (pH = 7.4): 0.6105986
• Log P: 0.6109633
• Molar Refractivity: 46.8135 cm^3
• Polarizability: 16.628145 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): 1.833

Product Information

• Purity: 95%