Basic information
- Standard SMILES
Br.CC1Cc2[nH]cc(C(=O)O)c2-c2nccn21- InChIKey
YZLYQNUSNCDGJJ-UHFFFAOYSA-N- Molecular formula
- C11H12BrN3O2
- Average molar mass
- 298.14 g/mol
Names & identifiers
- Preferred name
- 4-methyl-5,6-dihydro-4H-1,3a,6-triaza-as-indacene-8-carboxylic acid hydrobromide
- IUPAC
- 7-methyl-3,6,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraene-12-carboxylic acid;hydrobromide
Names & synonyms
SCHEMBL6302564YZLYQNUSNCDGJJ-UHFFFAOYSA-N4-methyl-5,6-dihydro-4H-1,3a,6-triaza-as-indacene-8-carboxylic acid hydrobromide
Database identifiers
- PubChem CID
- 69735886
Properties
Computed structural properties
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Related reactions
4 records
Compound notes
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