Basic information
- CAS
148680-52-8- Standard SMILES
O=C1C2CC(c3ccccc3)=NN2C=NN1CN1CCN(c2ccc(F)cc2)CC1- InChIKey
UJQXNOIOZGMQFW-UHFFFAOYSA-N- Molecular formula
- C22H23FN6O
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.19173754
Names & identifiers
- Preferred name
- Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-phenyl-
- IUPAC
- 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Names & synonyms
148680-52-8Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-phenyl-RefChem:376243DTXSID509334505-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Database identifiers
- CAS
148680-52-8- PubChem CID
- 3073408
- DTXSID
DTXSID50933450- Nikkaji
- J531.537I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 677
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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