Basic information
- Standard SMILES
O=c1[nH]c2ncc(Br)cc2c2ncnn12- InChIKey
WRHJVNJJANAELS-UHFFFAOYSA-N- Molecular formula
- C8H4BrN5O
- Average molar mass
- 266.05 g/mol
Names & identifiers
- Preferred name
- 9-bromopyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
- IUPAC
- 12-bromo-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
Names & synonyms
SCHEMBL16765203WRHJVNJJANAELS-UHFFFAOYSA-N9-bromopyrido[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5(6H)-one
Database identifiers
- PubChem CID
- 136338032
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 288
Related reactions
3 records
Compound notes
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