1-(4-Butyltriazol-1-yl)ethanone
Basic information
- CAS
19232-32-7- Standard SMILES
CCCCc1cn(C(C)=O)nn1- InChIKey
HBGZORCNNUJETM-UHFFFAOYSA-N- Molecular formula
- C8H13N3O
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.10586205
Names & identifiers
- Preferred name
- 1-(4-Butyltriazol-1-yl)ethanone
- IUPAC
- 1-(4-butyltriazol-1-yl)ethanone
Names & synonyms
19232-32-71-(4-butyltriazol-1-yl)ethanoneNSC192984DTXSID10307572NSC-1929841-(4-Butyl-1H-1,2,3-triazol-1-yl)ethan-1-one
Database identifiers
- CAS
19232-32-7- PubChem CID
- 303637
- DTXSID
DTXSID10307572
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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