3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
Basic information
- CAS
300568-34-7- Standard SMILES
COc1cc(OC)cc(C(=O)Nn2cnnc2)c1- InChIKey
JITQEQNOULVWGX-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3
- Average molar mass
- 248.24 g/mol
- Monoisotopic mass
- 248.09094026
Names & identifiers
- Preferred name
- 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
- IUPAC
- 3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
Names & synonyms
3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide3,5-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide300568-34-7Oprea1_090400Oprea1_258187MLS000768573CHEMBL1866309DTXSID701330934HMS2801B19STK180735AKOS001033809SMR000431894
Show more names
ST450061893,5-Dimethoxy-N-[1,2,4]triazol-4-yl-benzamideSR-01000501771SR-01000501771-1Z56760685F3386-6060(3,5-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)carboxamide
Database identifiers
- CAS
300568-34-7- PubChem CID
- 750212
- DTXSID
DTXSID701330934- ChEMBL
CHEMBL1866309
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
Solubility15.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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