5-chloro-3-methylpyrazin-2-amine

• ChemBase ID: 804224
• Molecular Formular: C5H6ClN3
• Molecular Mass: 143.57424
• Monoisotopic Mass: 143.02502489
• SMILES: c1(c(ncc(n1)Cl)N)C
• Canonical SMILES: Clc1cnc(c(n1)C)N
• InChI: InChI=1S/C5H6ClN3/c1-3-5(7)8-2-4(6)9-3/h2H,1H3,(H2,7,8)
• InChIKey: JQIRKTCPIIGFIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-3-methylpyrazin-2-amine
• IUPAC Traditional name: 5-chloro-3-methylpyrazin-2-amine
• Synonyms: 5-CHLORO-3-METHYLPYRAZIN-2-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.25900546
• LogD (pH = 7.4): 0.25902432
• Log P: 0.25902456
• Molar Refractivity: 37.2157 cm^3
• Polarizability: 13.430856 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%