3-chloro-5-methylpyrazin-2-amine

• ChemBase ID: 66685
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1(c(nc(cn1)C)Cl)N
• Canonical SMILES: Cc1cnc(c(n1)Cl)N
• InChI: InChI=1S/C5H6ClN3/c1-3-2-8-5(7)4(6)9-3/h2H,1H3,(H2,7,8)
• InChIKey: JPMJUTNVPDDMKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-methylpyrazin-2-amine
• IUPAC Traditional name: 3-chloro-5-methylpyrazin-2-amine
• Synonyms: 2-Amino-3-chloro-5-methylpyrazine

Database IDs

• CAS Number: 89182-14-9
• MDL Number: MFCD09834805
• PubChem SID: 162032422
• PubChem CID: 15149676

CALCULATED PROPERTIES

• Acid pKa: 18.7439
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2589948
• LogD (pH = 7.4): 0.25902417
• Log P: 0.25902456
• Molar Refractivity: 37.2157 cm^3
• Polarizability: 13.444625 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%