Basic information
- Standard SMILES
Clc1ccc(C#CCCn2ccnn2)nn1- InChIKey
IIIXQKZSKSPYHM-UHFFFAOYSA-N- Molecular formula
- C10H8ClN5
- Average molar mass
- 233.66 g/mol
- Monoisotopic mass
- 233.046823
Names & identifiers
- Preferred name
- 3-Chloro-6-(4-[1,2,3]triazol-1-yl-but-1-ynyl)-pyridazine
- IUPAC
- 3-chloro-6-[4-(triazol-1-yl)but-1-ynyl]pyridazine
Names & synonyms
SCHEMBL4664065IIIXQKZSKSPYHM-UHFFFAOYSA-N3-chloro-6-(4-[1,2,3]triazol-1-yl-but-1-ynyl)-pyridazine
Database identifiers
- PubChem CID
- 86074067
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 283
Related reactions
3 records
Compound notes
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