N-(2-ethyltetrazol-5-yl)benzamide
Basic information
- CAS
797767-76-1- Standard SMILES
CCn1nnc(NC(=O)c2ccccc2)n1- InChIKey
AJTZMWMYXFFIBJ-UHFFFAOYSA-N- Molecular formula
- C10H11N5O
- Average molar mass
- 217.23 g/mol
- Monoisotopic mass
- 217.09635999
Names & identifiers
- Preferred name
- N-(2-ethyltetrazol-5-yl)benzamide
- IUPAC
- N-(2-ethyltetrazol-5-yl)benzamide
- English name
- Benzamide, N-(2-ethyl-2H-tetrazol-5-yl)- (9CI)
- Molecular formula
- C10H11N5O
- Molecular weight
- 217.23
Names & synonyms
797767-76-1N-(2-ethyltetrazol-5-yl)benzamideN-(2-ethyl-2H-tetrazol-5-yl)benzamideBenzamide,N-(2-ethyl-2H-tetrazol-5-yl)-BAS 08209153CHEMBL4472663DTXSID30359250HMS1692C14STK248618AKOS000469482N-(2-ethyl-2H-tetraazol-5-yl)benzamideST062799
Show more names
Benzamide, N-(2-ethyl-2H-tetrazol-5-yl)-Benzamide, N-(2-ethyl-2H-tetrazol-5-yl)- (9CI)
AP-970/42768611N-(2-ethyl(1,2,3,4-tetraazol-5-yl))benzamideSR-01000323234SR-01000323234-1
Database identifiers
- CAS
797767-76-1- PubChem CID
- 953778
- DTXSID
DTXSID30359250- ChEMBL
CHEMBL4472663
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 10.45 · 10.45±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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