Basic information
- CAS
148680-62-0- Standard SMILES
O=c1c2cc(-c3ccccc3)nn2cnn1CN1CCN(c2ccc(F)cc2)CC1- InChIKey
SOUIHMOJVCWUSE-UHFFFAOYSA-N- Molecular formula
- C22H21FN6O
- Average molar mass
- 404.4 g/mol
- Monoisotopic mass
- 404.17608748
Names & identifiers
- Preferred name
- Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-phenyl-
- IUPAC
- 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
- English name
- 4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-phenyl-1,3,4,9-tetrazab icyclo[4.3.0]nona-2,6,8-trien-5-one
- Molecular formula
- C22H21FN6O
- Molecular weight
- 404.44
Names & synonyms
148680-62-0Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 5-((4-(4-fluorophenyl)-1-piperazinyl)methyl)-2-phenyl-DTXSID90164064RefChem:376250DTXCID00865555-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-phenyl-1,3,4,9-tetrazab icyclo[4.3.0]nona-2,6,8-trien5-{[4-(4-Fluorophenyl)piperazin-1-yl]methyl}-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-onePyrazolo[1,5-d][1,2,4]triazin-4(5H)-one, 5-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-phenyl-4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-phenyl-1,3,4,9-tetrazab icyclo[4.3.0]nona-2,6,8-trien-5-one
Database identifiers
- CAS
148680-62-0- PubChem CID
- 3073418
- DTXSID
DTXSID90164064- Nikkaji
- J531.543C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 625
Physicochemical properties
- Boiling point
- 620.1 · 620.1±65.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 7.14 · 7.14±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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