Basic information
- CAS
2101710-32-9- Standard SMILES
CC(C)(C)OC(=O)Cn1cc(Nc2nc3c(Br)cccn3n2)cn1- InChIKey
KHMCJANERNSNIU-UHFFFAOYSA-N- Molecular formula
- C15H17BrN6O2
- Average molar mass
- 393.24 g/mol
- Monoisotopic mass
- 392.05964
Names & identifiers
- Preferred name
- Tert-butyl 2-(4-((8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino)-1H-pyrazol-1-yl)acetate
- IUPAC
- tert-butyl 2-[4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pyrazol-1-yl]acetate
Names & synonyms
2101710-32-9SCHEMBL18986867DTXSID701110508DB-1735821H-Pyrazole-1-acetic acid, 4-[(8-bromo[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-, 1,1-dimethylethyl esterTert-butyl 2-(4-((8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino)-1H-pyrazol-1-yl)acetate
Database identifiers
- CAS
2101710-32-9- PubChem CID
- 129246792
- DTXSID
DTXSID701110508
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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