methyl 3-(1-(2-cyanoethyl)-1H-tetrazol-5-yl)benzoate
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)c1cccc(-c2nnnn2CCC#N)c1- InChIKey
JJGQBXSYBPQNRB-UHFFFAOYSA-N- Molecular formula
- C12H11N5O2
- Average molar mass
- 257.25 g/mol
Names & identifiers
- Preferred name
- methyl 3-(1-(2-cyanoethyl)-1H-tetrazol-5-yl)benzoate
- IUPAC
- methyl 3-[1-(2-cyanoethyl)tetrazol-5-yl]benzoate
Names & synonyms
SCHEMBL3748110methyl 3-(1-(2-cyanoethyl)-1H-tetrazol-5-yl)benzoateJJGQBXSYBPQNRB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 21075151
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
8 records
Compound notes
Loading…