3,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
Basic information
- CAS
331434-09-4- Standard SMILES
COc1ccc(C(=O)Nn2cnnc2)cc1OC- InChIKey
WFAHPZSKZQQOQF-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3
- Average molar mass
- 248.24 g/mol
- Monoisotopic mass
- 248.09094026
Names & identifiers
- Preferred name
- 3,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
- IUPAC
- 3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
Names & synonyms
3,4-dimethoxy-N-(4H-1,2,4-triazol-4-yl)benzamide3,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamideOprea1_249884Oprea1_334985331434-09-4MLS000768957CHEMBL1731200DTXSID501330940HMS2811L21STK179277AKOS003229236SMR000433691
Show more names
ST450078713,4-Dimethoxy-N-[1,2,4]triazol-4-yl-benzamideF3386-6031(3,4-dimethoxyphenyl)-N-(1,2,4-triazol-4-yl)carboxamide
Database identifiers
- CAS
331434-09-4- PubChem CID
- 4300538
- DTXSID
DTXSID501330940- ChEMBL
CHEMBL1731200
Properties
Computed structural properties
- XLogP
- 0.9
- 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
- 283
Experimental & physicochemical properties
Solubility22.5 [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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