3,5-diaminopyridine-2-carbonitrile

• ChemBase ID: 804319
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: n1c(c(cc(c1)N)N)C#N
• Canonical SMILES: N#Cc1ncc(cc1N)N
• InChI: InChI=1S/C6H6N4/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,8-9H2
• InChIKey: YUJIMZVDTNCSEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-diaminopyridine-2-carbonitrile
• IUPAC Traditional name: 3,5-diaminopyridine-2-carbonitrile
• Synonyms: 3,5-DIAMINOPYRIDINE-2-CARBONITRILE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6604078
• LogD (pH = 7.4): -0.660333
• Log P: -0.660332
• Molar Refractivity: 38.6515 cm^3
• Polarizability: 13.560805 Å^3
• Polar Surface Area: 88.72 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%