Basic information
- CAS
148680-53-9- Standard SMILES
CC1=NN(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C2CC(c3ccccc3)=NN12- InChIKey
BNHPHZMGYPIKPW-UHFFFAOYSA-N- Molecular formula
- C24H25F3N6O
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.20419393
Names & identifiers
- Preferred name
- Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-7-methyl-2-phenyl-5-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-
- IUPAC
- 7-methyl-2-phenyl-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Names & synonyms
148680-53-9Pyrazolo(1,5-d)(1,2,4)triazin-4(5H)-one, 3,3a-dihydro-7-methyl-2-phenyl-5-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-RefChem:376248DTXSID109334517-Methyl-2-phenyl-5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Database identifiers
- CAS
148680-53-9- PubChem CID
- 3073409
- DTXSID
DTXSID10933451- Nikkaji
- J531.536K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 816
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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