Basic information
- CAS
86126-25-2- Standard SMILES
O=C1CN(Cc2ccc(Cl)cc2)CC(=O)N2CCCN12- InChIKey
XWFGGHIYFIBTHQ-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3O2
- Average molar mass
- 293.75 g/mol
- Monoisotopic mass
- 293.0931045
Names & identifiers
- Preferred name
- 1H,7H-Pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, tetrahydro-3-((4-chlorophenyl)methyl)-
- IUPAC
- 3-[(4-chlorophenyl)methyl]-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Names & synonyms
86126-25-2NSC 3403371H,7H-Pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, tetrahydro-3-((4-chlorophenyl)methyl)-DTXSID00235411Tetrahydro-3-((4-chlorophenyl)methyl)-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dioneRefChem:236863DTXCID00157902NSC3403373-(4-Chlorobenzyl)tetrahydropyrazolo[1,2-a][1,2,5]triazepine-1,5(2H,7H)-dioneNSC-3403373-(4-chlorobenzyl)tetrahydro-1h,7h-pyrazolo[1,2-a][1,2,5]triazepine-1,5(2h)-dione3-[(4-chlorophenyl)methyl]-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Show more names
2ZF9376VCC3-[(4-chlorophenyl)methyl]-octahydropyrazolo[1,2-a][1,2,5]triazepine-1,5-dione3-[(4-Chlorophenyl)methyl]tetrahydro-1H,7H-pyrazolo[1,2-a][1,2,5]triazepine-1,5(2H)-dione86126-25-2 3-[(4-chlorophenyl)methyl]-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Database identifiers
- CAS
86126-25-2- PubChem CID
- 72808
- DTXSID
DTXSID00235411- UNII
- 2ZF9376VCC
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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