[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium
Basic information
- CAS
7171-68-8- Standard SMILES
Cc1nn(CCO)c(C)c1N=[N+]([O-])c1c(C)nn(CCO)c1C- InChIKey
PJVSLEAQHXBIJR-UHFFFAOYSA-N- Molecular formula
- C14H22N6O3
- Average molar mass
- 322.36 g/mol
- Monoisotopic mass
- 322.17533859
Names & identifiers
- Preferred name
- [1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium
- IUPAC
- [1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium
Names & synonyms
7171-68-81H-Pyrazole-1-ethanol,4'-azoxybis(3,5-dimethyl-1H-Pyrazole-1-ethanol,4'-azoxybis[3,5-dimethyl-NSC179945[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazaniumDTXSID40306811NSC-1799452-(4-{(Z)-[1-(2-Hydroxyethyl)-3,5-dimethyl-1H-pyrazol-4-yl]-NNO-azoxy}-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-ol
Database identifiers
- CAS
7171-68-8- PubChem CID
- 301772
- DTXSID
DTXSID40306811
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
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