Basic information
- CAS
86126-23-0- Standard SMILES
CC(C)CN1CC(=O)N2CCCN2C(=O)C1- InChIKey
HKQIXBBMSZLOQN-UHFFFAOYSA-N- Molecular formula
- C11H19N3O2
- Average molar mass
- 225.29 g/mol
- Monoisotopic mass
- 225.14772686
Names & identifiers
- Preferred name
- Tetrahydro-3-(2-methylpropyl)-1H,7H-pyrazolo(1,2-A)(1,2,5)triazepine-1,5(2H)-dione
- IUPAC
- 3-(2-methylpropyl)-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Names & synonyms
86126-23-04J1Q3YF6RRTetrahydro-3-(2-methylpropyl)-1H,7H-pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dioneNSC-340335RefChem:1099682NSC3403351H,7H-Pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, tetrahydro-3-(2-methylpropyl)-NSC 3403353-Isobutyltetrahydro-1H,7H-pyrazolo[1,2-a][1,2,5]triazepine-1,5(2H)-dioneUNII-4J1Q3YF6RRSCHEMBL19370851DTXSID30235409
Show more names
3-(2-Methylpropyl)tetrahydro-1H,7H-pyrazolo[1,2-a][1,2,5]triazepine-1,5(2H)-dione3-isobutyl-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione
Database identifiers
- CAS
86126-23-0- PubChem CID
- 72807
- DTXSID
DTXSID30235409- UNII
- 4J1Q3YF6RR
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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