1,2,5-Oxadiazole-3-carbonitrile,4-amino-,2-oxide(9CI)
Basic information
- CAS
206363-17-9- Standard SMILES
N#Cc1c(N)no[n+]1[O-]- InChIKey
BRUWSSMRVGSTKJ-UHFFFAOYSA-N- Molecular formula
- C3H2N4O2
- Average molar mass
- 126.07 g/mol
Names & identifiers
- Preferred name
- 1,2,5-Oxadiazole-3-carbonitrile,4-amino-,2-oxide(9CI)
- IUPAC
- 4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile
- English name
- 1,2,5-Oxadiazole-3-carbonitrile,4-amino-,2-oxide(9CI)
- Molecular formula
- C3H2N4O2
- Molecular weight
- 126.07
Names & synonyms
206363-17-94-amino-3-cyanofuroxan1,2,5-Oxadiazole-3-carbonitrile,4-amino-,2-oxide(9CI)4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrileSCHEMBL280705154-Amino-3-cyano-1,2,5-oxadiazole 2-oxide4-Amino-1,2,5-oxadiazole-3-carbonitrile-2-oxide1,2,5-Oxadiazole-3-carbonitrile, 4-amino-, 2-oxide
Database identifiers
- CAS
206363-17-9- Nikkaji
- J3.528.671C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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