5-methylpyrazine-2-carboximidamide

• ChemBase ID: 799593
• Molecular Formular: C6H8N4
• Molecular Mass: 136.15452
• Monoisotopic Mass: 136.07489628
• SMILES: c1c(ncc(n1)C)C(=N)N
• Canonical SMILES: Cc1cnc(cn1)C(=N)N
• InChI: InChI=1S/C6H8N4/c1-4-2-10-5(3-9-4)6(7)8/h2-3H,1H3,(H3,7,8)
• InChIKey: QABMWLCUGMXHHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyrazine-2-carboximidamide
• IUPAC Traditional name: 5-methylpyrazine-2-carboximidamide
• Synonyms: 5-methylpyrazine-2-carboximidamide

Database IDs

• CAS Number: 725234-33-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.1463783
• LogD (pH = 7.4): -1.6591141
• Log P: -1.0244101
• Molar Refractivity: 47.6362 cm^3
• Polarizability: 14.008833 Å^3
• Polar Surface Area: 75.65 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%