N,N,4-trimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
Basic information
- CAS
50882-11-6- Standard SMILES
Cc1no[n+]([O-])c1C(=O)N(C)C- InChIKey
SHAWYZLTXGPCCQ-UHFFFAOYSA-N- Molecular formula
- C6H9N3O3
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.06439116
Names & identifiers
- Preferred name
- N,N,4-trimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
- IUPAC
- N,N,4-trimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
Names & synonyms
50882-11-6NSC234502N,N,4-trimethyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamideDTXSID403109384-Methyl-3-furoxancarbodimethylamideNSC-2345024-Methylfuroxan-3-(N,N-dimethylcarboxamide)N,N,4-Trimethyl-2-oxo-1,2lambda~5~,5-oxadiazole-3-carboxamide
Database identifiers
- CAS
50882-11-6- PubChem CID
- 314772
- DTXSID
DTXSID40310938
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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