Basic information
- Standard SMILES
CCC#CCn1nc(-c2ccc(Cl)cc2)ncc1=O- InChIKey
MVPLXMRBIROFGV-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3O
- Average molar mass
- 273.72 g/mol
- Monoisotopic mass
- 273.0668897
Names & identifiers
- Preferred name
- 1-(2-Pentynyl)-3-(4-chlorophenyl)-1,2,4-triazin-6-one
- IUPAC
- 3-(4-chlorophenyl)-1-pent-2-ynyl-1,2,4-triazin-6-one
Names & synonyms
SCHEMBL4219055MVPLXMRBIROFGV-UHFFFAOYSA-N1-(2-pentynyl)-3-(4-chlorophenyl)-1,2,4-triazin-6-one
Database identifiers
- PubChem CID
- 68960976
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 464
Related reactions
2 records
Compound notes
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