3-Chloro-7H-imidazo[4,5-c]pyridazine
Basic information
- CAS
6584-26-5- Standard SMILES
Clc1cc2[nH]cnc2nn1- InChIKey
XWNKHKFVVGKLJS-UHFFFAOYSA-N- Molecular formula
- C5H3ClN4
- Average molar mass
- 154.56 g/mol
- Monoisotopic mass
- 154.0046238
Names & identifiers
- Preferred name
- 3-Chloro-7H-imidazo[4,5-c]pyridazine
- IUPAC
- 3-chloro-5H-imidazo[4,5-c]pyridazine
Names & synonyms
3-Chloro-7H-imidazo[4,5-c]pyridazine6584-26-5Chloro-9H-imidazo[4,5-c]pyridazine3-chloro-5H-imidazo[4,5-c]pyridazineSCHEMBL8533579SCHEMBL10611613XWNKHKFVVGKLJS-UHFFFAOYSA-NAM-944/40947444
Database identifiers
- CAS
6584-26-5- PubChem CID
- 6401348
- EC Number
- 192-564-0
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
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Compound notes
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