Basic information
- CAS
329922-45-4- Standard SMILES
Nc1nonc1C(=NO)N1CCN(CCO)CC1- InChIKey
ZUFPEKRAPJJQJR-UHFFFAOYSA-N- Molecular formula
- C9H16N6O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.12838839
Names & identifiers
- Preferred name
- (4-Amino-1,2,5-oxadiazol-3-yl)[4-(2-hydroxyethyl)-1-piperazinyl]methanone oxime
- IUPAC
- 2-[4-[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol
Names & synonyms
CBMicro_006477SCHEMBL1187938DTXSID201136327HMS2339M07(4-Amino-1,2,5-oxadiazol-3-yl)[4-(2-hydroxyethyl)-1-piperazinyl]methanone oxime329922-45-42-{4-[(4-Amino-1,2,5-oxadiazol-3-yl)(hydroxyimino)methyl]piperazin-1-yl}ethan-1-ol
Database identifiers
- CAS
329922-45-4- PubChem CID
- 614355
- DTXSID
DTXSID201136327
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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