Basic information
- CAS
211308-05-3- Standard SMILES
CCc1n[nH]nc1-c1ccccc1- InChIKey
SIVUGESCZOAIEU-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529736
Names & identifiers
- Preferred name
- 4-Ethyl-5-phenyl-2H-1,2,3-triazole
- IUPAC
- 4-ethyl-5-phenyl-2H-triazole
Names & synonyms
211308-05-34-Ethyl-5-phenyl-2H-1,2,3-triazoleDTXSID90573399RefChem:292617DTXCID60524171SCHEMBL11015928SCHEMBL14498353SCHEMBL28348894
Database identifiers
- CAS
211308-05-3- PubChem CID
- 15501643
- DTXSID
DTXSID90573399- Nikkaji
- J3.707.027K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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