Basic information
- CAS
71248-09-4- Standard SMILES
O=c1n(-c2cccc(F)c2)c(=O)n2n1CCCC2- InChIKey
KOZKKNGZRUOLNH-UHFFFAOYSA-N- Molecular formula
- C12H12FN3O2
- Average molar mass
- 249.24 g/mol
- Monoisotopic mass
- 249.0913548
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(1,2-a)pyridazine-1,3-dione
- IUPAC
- 2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
Names & synonyms
71248-09-42-(3-Fluorophenyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(1,2-a)pyridazine-1,3-dione2-(3-fluorophenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dioneDTXSID50221420
Database identifiers
- CAS
71248-09-4- PubChem CID
- 190023
- DTXSID
DTXSID50221420
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…