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Basic information
- Standard SMILES
Cc1n[nH]c(=O)n1-c1ccc(F)nc1- InChIKey
XDHSKWDSIMCGPF-UHFFFAOYSA-N- Molecular formula
- C8H7FN4O
- Average molar mass
- 194.17 g/mol
- Monoisotopic mass
- 194.06038902
Names & identifiers
- Preferred name
- 4-(6-fluoro-3-pyridyl)-3-methyl-1H-1,2,4-triazol-5-one
- IUPAC
- 4-(6-fluoro-3-pyridinyl)-3-methyl-1H-1,2,4-triazol-5-one
Names & synonyms
SCHEMBL15547050XDHSKWDSIMCGPF-UHFFFAOYSA-N4-(6-fluoro-3-pyridyl)-3-methyl-1H-1,2,4-triazol-5-one
Database identifiers
- PubChem CID
- 72704331
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 281
Related reactions
1 records
Compound notes
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