7-bromo-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
Basic information
- CAS
187867-21-6- Standard SMILES
Cc1nc2c(Br)c(C)[nH]n2n1- InChIKey
WUAVYYAHNCWVTI-UHFFFAOYSA-N- Molecular formula
- C6H7BrN4
- Average molar mass
- 215.05 g/mol
- Monoisotopic mass
- 213.98541
Names & identifiers
- Preferred name
- 7-bromo-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
- IUPAC
- 7-bromo-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
Names & synonyms
187867-21-67-bromo-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazoleSCHEMBL2268122SCHEMBL2268126SCHEMBL2534352DTXSID60623693
Database identifiers
- CAS
187867-21-6- PubChem CID
- 22239339
- DTXSID
DTXSID60623693
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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