3,4-dimethyl-N-(1-propyltetrazol-5-yl)benzamide
Basic information
- CAS
639047-29-3- Standard SMILES
CCCn1nnnc1NC(=O)c1ccc(C)c(C)c1- InChIKey
VIOLYMCJKVACJL-UHFFFAOYSA-N- Molecular formula
- C13H17N5O
- Average molar mass
- 259.31 g/mol
- Monoisotopic mass
- 259.14331018
Names & identifiers
- Preferred name
- 3,4-dimethyl-N-(1-propyltetrazol-5-yl)benzamide
- IUPAC
- 3,4-dimethyl-N-(1-propyltetrazol-5-yl)benzamide
- English name
- Benzamide, 3,4-dimethyl-N-(1-propyl-1H-tetrazol-5-yl)- (9CI)
- Molecular formula
- C13H17N5O
- Molecular weight
- 259.31
Names & synonyms
639047-29-33,4-dimethyl-N-(1-propyltetrazol-5-yl)benzamide3,4-Dimethyl-N-(1-propyl-1H-tetrazol-5-yl)benzamideDTXSID80359341BENZAMIDE, 3,4-DIMETHYL-N-(1-PROPYL-1H-TETRAZOL-5-YL)-AKOS003198913DB-284929Benzamide, 3,4-dimethyl-N-(1-propyl-1H-tetrazol-5-yl)- (9CI)
Database identifiers
- CAS
639047-29-3- PubChem CID
- 960183
- DTXSID
DTXSID80359341
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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