5-(dimethylamino)pyrazine-2-carbaldehyde

• ChemBase ID: 802294
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: c1c(ncc(n1)N(C)C)C=O
• Canonical SMILES: O=Cc1ncc(nc1)N(C)C
• InChI: InChI=1S/C7H9N3O/c1-10(2)7-4-8-6(5-11)3-9-7/h3-5H,1-2H3
• InChIKey: WGBUHWXYSOLFEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)pyrazine-2-carbaldehyde
• IUPAC Traditional name: 5-(dimethylamino)pyrazine-2-carbaldehyde
• Synonyms: 5-(DIMETHYLAMINO)PYRAZINE-2-CARBALDEHYDE

Database IDs

• CAS Number: 221295-08-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.62743896
• LogD (pH = 7.4): 0.62744766
• Log P: 0.6274478
• Molar Refractivity: 42.6851 cm^3
• Polarizability: 15.281912 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%