Basic information
- CAS
89157-70-0- Standard SMILES
COc1ccc(-n2nc(C=O)c(C(N)=O)n2)cc1- InChIKey
RYVYJWWBEJCJAC-UHFFFAOYSA-N- Molecular formula
- C11H10N4O3
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.07529019
Names & identifiers
- Preferred name
- 5-Formyl-2-(4-methoxyphenyl)-2H-1,2,3-triazole-4-carboxamide
- IUPAC
- 5-formyl-2-(4-methoxyphenyl)triazole-4-carboxamide
Names & synonyms
89157-70-0DTXSID207521105-Formyl-2-(4-methoxyphenyl)-2H-1,2,3-triazole-4-carboxamide
Database identifiers
- CAS
89157-70-0- PubChem CID
- 71322425
- DTXSID
DTXSID20752110
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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