Basic information
- Standard SMILES
CCCCc1nc(CCCC)n(Cc2ccc(Br)cn2)n1- InChIKey
URJNMZBZKXLVKY-UHFFFAOYSA-N- Molecular formula
- C16H23BrN4
- Average molar mass
- 351.28 g/mol
Names & identifiers
- Preferred name
- 5-bromo-2-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]pyridine
- IUPAC
- 5-bromo-2-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]pyridine
Names & synonyms
SCHEMBL8841792URJNMZBZKXLVKY-UHFFFAOYSA-N5-bromo-2-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]pyridine
Database identifiers
- PubChem CID
- 19976626
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 289
Related reactions
7 records
Compound notes
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