Basic information
- CAS
91089-08-6- Standard SMILES
Cc1nnn(NC(=O)c2ccccc2)c1C- InChIKey
NGEJGNHXPRUVKN-UHFFFAOYSA-N- Molecular formula
- C11H12N4O
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.10111102
Names & identifiers
- Preferred name
- N-(4,5-dimethyltriazol-1-yl)benzamide
- IUPAC
- N-(4,5-dimethyltriazol-1-yl)benzamide
Names & synonyms
NSC15548391089-08-6N-(4,5-dimethyltriazol-1-yl)benzamiden-(4,5-dimethyl-1h-1,2,3-triazol-1-yl)benzamideDTXSID60919982NSC-155483N-(4,5-Dimethyl-1H-1,2,3-triazol-1-yl)benzenecarboximidic acid
Database identifiers
- CAS
91089-08-6- PubChem CID
- 290987
- DTXSID
DTXSID60919982
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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