3,6-bis(1H-imidazol-1-yl)pyridazine

• ChemBase ID: 75453
• Molecular Formular: C10H8N6
• Molecular Mass: 212.21072
• Monoisotopic Mass: 212.08104429
• SMILES: n1cn(c2nnc(cc2)n2ccnc2)cc1
• Canonical SMILES: c1ncn(c1)c1ccc(nn1)n1cncc1
• InChI: InChI=1S/C10H8N6/c1-2-10(16-6-4-12-8-16)14-13-9(1)15-5-3-11-7-15/h1-8H
• InChIKey: HGHPOOTWIHFSSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-bis(1H-imidazol-1-yl)pyridazine
• IUPAC Traditional name: 3,6-bis(imidazol-1-yl)pyridazine
• Synonyms: 3,6-Di(1H-imidazol-1-yl)pyridazine 98%; 3,6-Di(1H-iMidazol-1-yl)pyridazine

Database IDs

• CAS Number: 177648-99-6
• MDL Number: MFCD09475834
• PubChem SID: 162040371
• PubChem CID: 12698878

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3880702
• LogD (pH = 7.4): 0.44470507
• Log P: 0.49104747
• Molar Refractivity: 80.2882 cm^3
• Polarizability: 21.394789 Å^3
• Polar Surface Area: 61.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%