3,4-Dimethyl-N-(2-propyl-2H-tetrazol-5-yl)benzamide
Basic information
- CAS
638145-85-4- Standard SMILES
CCCn1nnc(NC(=O)c2ccc(C)c(C)c2)n1- InChIKey
VQEVVOOCFPFKCY-UHFFFAOYSA-N- Molecular formula
- C13H17N5O
- Average molar mass
- 259.31 g/mol
- Monoisotopic mass
- 259.14331018
Names & identifiers
- Preferred name
- 3,4-Dimethyl-N-(2-propyl-2H-tetrazol-5-yl)benzamide
- IUPAC
- 3,4-dimethyl-N-(2-propyltetrazol-5-yl)benzamide
- English name
- Benzamide, 3,4-dimethyl-N-(2-propyl-2H-tetrazol-5-yl)- (9CI)
- Molecular formula
- C13H17N5O
- Molecular weight
- 259.31
Names & synonyms
638145-85-43,4-Dimethyl-N-(2-propyl-2H-tetrazol-5-yl)benzamideBENZAMIDE, 3,4-DIMETHYL-N-(2-PROPYL-2H-TETRAZOL-5-YL)-3,4-dimethyl-N-(2-propyltetrazol-5-yl)benzamideDTXSID90358421AKOS000604850DB-284930ST50280691(3,4-dimethylphenyl)-N-(2-propyl(1,2,3,4-tetraazol-5-yl))carboxamideBenzamide, 3,4-dimethyl-N-(2-propyl-2H-tetrazol-5-yl)- (9CI)
Database identifiers
- CAS
638145-85-4- PubChem CID
- 894159
- DTXSID
DTXSID90358421
Properties
Computed structural properties
- XLogP
- 2.8
- 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
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 10.96 · 10.96±0.70(Predicted)
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Compound notes
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