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Basic information
- Standard SMILES
Cc1ccc(-c2c(Br)ccn3c(=O)n(CC(C)C)nc23)cc1- InChIKey
LACXYCNMYIXWQJ-UHFFFAOYSA-N- Molecular formula
- C17H18BrN3O
- Average molar mass
- 360.2 g/mol
Names & identifiers
- Preferred name
- 7-bromo-2-isobutyl-8-p-tolyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7-bromo-8-(4-methylphenyl)-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
SCHEMBL4483694LACXYCNMYIXWQJ-UHFFFAOYSA-N7-bromo-2-isobutyl-8-p-tolyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Database identifiers
- PubChem CID
- 57799429
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 556
Related reactions
5 records
Compound notes
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