Basic information
- Standard SMILES
CC(C)Cn1nc2c(I)c(Br)ccn2c1=O- InChIKey
PSOICBZKTADTNC-UHFFFAOYSA-N- Molecular formula
- C10H11BrIN3O
- Average molar mass
- 396.02 g/mol
Names & identifiers
- Preferred name
- 7-bromo-8-iodo-2-isobutyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
- IUPAC
- 7-bromo-8-iodo-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
Names & synonyms
7-bromo-8-iodo-2-isobutyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-oneSCHEMBL4485951PSOICBZKTADTNC-UHFFFAOYSA-N917969-61-0
Database identifiers
- PubChem CID
- 57799382
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 428
Related reactions
10 records
Compound notes
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