4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide
Basic information
- CAS
672338-07-7- Standard SMILES
Cn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1- InChIKey
AYPFQTLKOBNBFQ-UHFFFAOYSA-N- Molecular formula
- C13H17N5O
- Average molar mass
- 259.31 g/mol
- Monoisotopic mass
- 259.14331018
Names & identifiers
- Preferred name
- 4-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamide
- IUPAC
- 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
- English name
- Benzamide, 4-(1,1-dimethylethyl)-N-(2-methyl-2H-tetrazol-5-yl)- (9CI)
- Molecular formula
- C13H17N5O
- Molecular weight
- 259.31
Names & synonyms
672338-07-74-tert-Butyl-N-(2-methyl-2H-tetrazol-5-yl)-benzamideMLS000034411SMR000014654ST0619834-tert-butyl-N-(2-methyl-2H-tetrazol-5-yl)benzamide4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamidecid_645076CHEMBL1321213BDBM96085DTXSID60349402HMS2362L14
Show more names
Benzamide, 4-(1,1-dimethylethyl)-N-(2-methyl-2H-tetrazol-5-yl)- (9CI)
STK138833AKOS000608126BENZAMIDE, 4-(1,1-DIMETHYLETHYL)-N-(2-METHYL-2H-TETRAZOL-5-YL)-DB-2849604-tert-butyl-N-(2-methyl-5-tetrazolyl)benzamideSR-01000321737SR-01000321737-14-tert-butyl-N-(2-methyl-1,2,3,4-tetrazol-5-yl)benzamide
Database identifiers
- CAS
672338-07-7- PubChem CID
- 645076
- DTXSID
DTXSID60349402- ChEMBL
CHEMBL1321213
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 10.72 · 10.72±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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