Basic information
- CAS
86126-27-4- Standard SMILES
Cc1ccc(N2CC(=O)N3CCCN3C(=O)C2)cc1- InChIKey
UYJFZMNKAVOSNS-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- Tetrahydro-3-(4-methylphenyl)-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
- IUPAC
- 3-(4-methylphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Names & synonyms
86126-27-44ZAC78ZN9ZNSC 340339Tetrahydro-3-(4-methylphenyl)-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dioneUNII-4ZAC78ZN9ZNSC-3403391H,7H-Pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, tetrahydro-3-(4-methylphenyl)-DTXSID20235413RefChem:203248DTXCID20157904NSC3403393-(4-methylphenyl)tetrahydro-1h,7h-pyrazolo[1,2-a][1,2,5]triazepine-1,5(2h)-dione
Show more names
3-(p-Tolyl)tetrahydropyrazolo[1,2-a][1,2,5]triazepine-1,5(2H,7H)-dione3-(p-tolyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Database identifiers
- CAS
86126-27-4- PubChem CID
- 72809
- DTXSID
DTXSID20235413- UNII
- 4ZAC78ZN9Z
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
- 19
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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