3-ethoxy-N-(1-methyltetrazol-5-yl)benzamide
Basic information
- CAS
638146-83-5- Standard SMILES
CCOc1cccc(C(=O)Nc2nnnn2C)c1- InChIKey
YCLRIUIVUDHQHX-UHFFFAOYSA-N- Molecular formula
- C11H13N5O2
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.10692467
Names & identifiers
- Preferred name
- 3-ethoxy-N-(1-methyltetrazol-5-yl)benzamide
- IUPAC
- 3-ethoxy-N-(1-methyltetrazol-5-yl)benzamide
- English name
- Benzamide, 3-ethoxy-N-(1-methyl-1H-tetrazol-5-yl)- (9CI)
- Molecular formula
- C11H13N5O2
- Molecular weight
- 247.25
Names & synonyms
3-ethoxy-N-(1-methyltetrazol-5-yl)benzamide638146-83-53-ethoxy-N-(1-methyl-1H-tetrazol-5-yl)benzamideDTXSID10358948STK327812AKOS003210629DB-284946BENZAMIDE, 3-ETHOXY-N-(1-METHYL-1H-TETRAZOL-5-YL)-Benzamide, 3-ethoxy-N-(1-methyl-1H-tetrazol-5-yl)- (9CI)
Database identifiers
- CAS
638146-83-5- PubChem CID
- 925663
- DTXSID
DTXSID10358948
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 10.63 · 10.63±0.70(Predicted)
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Related reactions
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Compound notes
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