Basic information
- CAS
916151-01-4- Standard SMILES
COc1ccccc1-n1cc(C=O)nn1- InChIKey
OZPQPEHREXEUPJ-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- 1-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carbaldehyde
- IUPAC
- 1-(2-methoxyphenyl)triazole-4-carbaldehyde
Names & synonyms
1-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carbaldehyde916151-01-41-(2-methoxyphenyl)triazole-4-carbaldehydeCHEMBL1823307DTXSID705817951H-1,2,3-Triazole-4-carboxaldehyde, 1-(2-methoxyphenyl)-AKOS024075240F2157-0703
Database identifiers
- CAS
916151-01-4- PubChem CID
- 16074331
- DTXSID
DTXSID70581795- ChEMBL
CHEMBL1823307
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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