1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide
Basic information
- CAS
150012-68-3- Standard SMILES
CC1=C(N2C=CCN(C3=C(C)N(O)ON3)C=C2)NON1O- InChIKey
BPGUPYOPMIBBPM-UHFFFAOYSA-N- Molecular formula
- C11H16N6O4
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.12330301
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide
- IUPAC
- 5-hydroxy-3-[1-(5-hydroxy-4-methyl-2H-1,2,5-oxadiazol-3-yl)-5H-1,4-diazepin-4-yl]-4-methyl-2H-1,2,5-oxadiazole
Names & synonyms
1H-1,4-Diazepine, hexahydro-1,4-bis(methylfurazanyl)-, N(sup 1),N(sup 4)-dioxide150012-68-3Hexahydro-1,4-bis(methylfurazanyl)-1H-1,4-diazepine N(sup 1),N(sup 4)-dioxideDTXSID40164453N,N'-Bis(3-methyl-2-oxo-1,2,5-oxadiazol-4-yl)hexahydro-1,4-diazepineRefChem:237147DTXCID30869444,4'-(1H-1,4-Diazepine-1,4(5H)-diyl)bis(3-methyl-1,2,5-oxadiazol-2(5H)-ol)
Database identifiers
- CAS
150012-68-3- PubChem CID
- 3073572
- DTXSID
DTXSID40164453
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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