3-Morpholin-4-ylhexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
Basic information
- CAS
69405-21-6- Standard SMILES
O=C1CN(N2CCOCC2)CC(=O)N2CCCCN12- InChIKey
KYMZXHCZOPXPEA-UHFFFAOYSA-N- Molecular formula
- C12H20N4O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.15354051
Names & identifiers
- Preferred name
- 3-Morpholin-4-ylhexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione
- IUPAC
- 3-morpholin-4-yl-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Names & synonyms
69405-21-6NSC337244NSC 3372443-Morpholin-4-ylhexahydro-1H-pyridazino(1,2-a)(1,2,5)triazepine-1,5(2H)-dione3-Morpholin-4-ylhexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dioneDTXSID40219538NSC-3372443-(Morpholin-4-yl)hexahydro-1H-pyridazino[1,2-a][1,2,5]triazepine-1,5(2H)-dione3-morpholino-2,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,5]triazepine-1,5-dione
Database identifiers
- CAS
69405-21-6- PubChem CID
- 333696
- DTXSID
DTXSID40219538
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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