Basic information
- Standard SMILES
Clc1nn2c(-c3ccccc3)nnc2cc1C1CCC1- InChIKey
KHTBOHFYNQGICR-UHFFFAOYSA-N- Molecular formula
- C15H13ClN4
- Average molar mass
- 284.74 g/mol
- Monoisotopic mass
- 284.0828741
Names & identifiers
- Preferred name
- 6-Chloro-7-cyclobutyl-3-phenyl-1,2,4-triazolo[4,3-b]pyridazine
- IUPAC
- 6-chloro-7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
Names & synonyms
SCHEMBL2646849KHTBOHFYNQGICR-UHFFFAOYSA-N6chloro-7-cyclobutyl-3-phenyl-1,2,4triazolo[4,3-b]pyridazine6-Chloro-7-cyclobutyl-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine6-Chloro-7-cyclobutyl-3-phenyl-1,2,4-triazolo[4,3-b]pyridazine6-chloro-7-cyclobutyl-3-phenyl-1,2,4-triazolo[4.3-b]pyridazine
Database identifiers
- PubChem CID
- 11000593
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
16 records
Linked notes
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