Structure Info
- Chemspace ID
- CSMB06379179785 (Enamine MADE)
- IUPAC Name
- ethyl 3-amino-5-cyano-2-(1H-1,2,4-triazol-1-yl)benzoate
- Mol formula
- C12H11N5O2
- Mol weight
- 257 Da
- Catalog Number(s)
- BBV-566443685
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.76
- Heavy atoms count
- 19
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 107
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB06379179785
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