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Basic information
- Standard SMILES
Cn1cnn(-c2cc(F)ccc2C#N)c1=O- InChIKey
CQWZZOKDMZLWPY-UHFFFAOYSA-N- Molecular formula
- C10H7FN4O
- Average molar mass
- 218.19 g/mol
Names & identifiers
- Preferred name
- 4-Fluoro-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzonitrile
- IUPAC
- 4-fluoro-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)benzonitrile
Names & synonyms
SCHEMBL2528786CQWZZOKDMZLWPY-UHFFFAOYSA-N4-Fluoro-2-(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzonitrile
Database identifiers
- PubChem CID
- 58877902
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 374
Related reactions
2 records
Compound notes
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