3-chloro-N-methylpyrazin-2-amine

• ChemBase ID: 309700
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1(c(nccn1)Cl)NC
• Canonical SMILES: CNc1nccnc1Cl
• InChI: InChI=1S/C5H6ClN3/c1-7-5-4(6)8-2-3-9-5/h2-3H,1H3,(H,7,9)
• InChIKey: CLVOWQGBRGLTBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-N-methylpyrazin-2-amine
• IUPAC Traditional name: 3-chloro-N-methylpyrazin-2-amine
• Synonyms: 3-chloro-N-methyl-2-pyrazinamine

Database IDs

• CAS Number: 53265-29-5
• MDL Number: MFCD14702673

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.42933342
• LogD (pH = 7.4): 0.42935815
• Log P: 0.42935848
• Molar Refractivity: 38.1176 cm^3
• Polarizability: 13.516887 Å^3
• Polar Surface Area: 37.81 Å^2