Basic information
- Standard SMILES
CCOC(OCC)c1nc(-c2cccc(F)c2)nn1C- InChIKey
WIIZIEWLICRYQZ-UHFFFAOYSA-N- Molecular formula
- C14H18FN3O2
- Average molar mass
- 279.31 g/mol
- Monoisotopic mass
- 279.13830499
Names & identifiers
- Preferred name
- 5-(Diethoxymethyl)-3-(3-fluorophenyl)-1-methyl-1H-1,2,4-triazole
- IUPAC
- 5-(diethoxymethyl)-3-(3-fluorophenyl)-1-methyl-1,2,4-triazole
Names & synonyms
SCHEMBL4478677WIIZIEWLICRYQZ-UHFFFAOYSA-N5-(Diethoxymethyl)-3-(3-fluorophenyl)-1-methyl-1H-1,2,4-triazole
Database identifiers
- PubChem CID
- 58764259
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Related reactions
6 records
Compound notes
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