pyridazine-4-carbonitrile

• ChemBase ID: 797003
• Molecular Formular: C5H3N3
• Molecular Mass: 105.09742
• Monoisotopic Mass: 105.03269711
• SMILES: n1ncc(cc1)C#N
• Canonical SMILES: N#Cc1ccnnc1
• InChI: InChI=1S/C5H3N3/c6-3-5-1-2-7-8-4-5/h1-2,4H
• InChIKey: QXOXHGUPISQLPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazine-4-carbonitrile
• IUPAC Traditional name: 4-pyridazinecarbonitrile
• Synonyms: Pyridazine-4-carbonitrile

Database IDs

• CAS Number: 68776-62-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3681004
• LogD (pH = 7.4): -0.36810037
• Log P: -0.36810037
• Molar Refractivity: 29.486 cm^3
• Polarizability: 10.3877535 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%