Basic information
- Standard SMILES
C[Si](C)(C)C#Cc1ccc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)cc1- InChIKey
WMRYQESLYONKMT-UHFFFAOYSA-N- Molecular formula
- C19H17ClFN3OSi
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.0813446
Names & identifiers
- Preferred name
- 5-(2-chloro-6-fluorophenyl)-2-{4-[(trimethylsilyl)ethynyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 5-(2-chloro-6-fluorophenyl)-2-[4-(2-trimethylsilylethynyl)phenyl]-4H-1,2,4-triazol-3-one
Names & synonyms
SCHEMBL15539912WMRYQESLYONKMT-UHFFFAOYSA-N5-(2-chloro-6-fluorophenyl)-2-{4-[(trimethylsilyl)ethynyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
Database identifiers
- PubChem CID
- 136644845
Properties
Computed structural properties
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 642
Related reactions
3 records
Compound notes
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