Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCc1cn(Cc2cccc(Br)n2)nn1- InChIKey
RDDHJCNJHRUXCV-UHFFFAOYSA-N- Molecular formula
- C14H18BrN5O2
- Average molar mass
- 368.23 g/mol
Names & identifiers
- Preferred name
- Tert-butyl({1-[(6-bromopyridin-2-yl)methyl]-1h-1,2,3-triazol-4-yl}methyl)carbamate
- IUPAC
- tert-butyl N-[[1-[(6-bromo-2-pyridinyl)methyl]triazol-4-yl]methyl]carbamate
Names & synonyms
SCHEMBL13117326RDDHJCNJHRUXCV-UHFFFAOYSA-Ntert-butyl({1-[(6-bromopyridin-2-yl)methyl]-1h-1,2,3-triazol-4-yl}methyl)carbamate
Database identifiers
- PubChem CID
- 59526311
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
2 records
Compound notes
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