5-Hydroxyniridazole
Basic information
- CAS
72589-88-9- Standard SMILES
O=C1NCC(O)N1c1ncc([N+](=O)[O-])s1- InChIKey
IRFBGTHTPRUSFQ-UHFFFAOYSA-N- Molecular formula
- C6H6N4O4S
- Average molar mass
- 230.2 g/mol
- Monoisotopic mass
- 230.01097586
Overview
metabolite of niridazole; structure given in first source
Names & identifiers
- Preferred name
- 5-Hydroxyniridazole
- IUPAC
- 5-hydroxy-1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
- English name
- 5-hydroxyniridazole
- Molecular weight
- 0
Names & synonyms
5-Hydroxyniridazole72589-88-9RefChem:1029215-Hydroxy-1-(5-nitro-2-thiazolyl)-2-imidazolidinoneDTXSID109934392-IMIDAZOLIDINONE, 5-HYDROXY-1-(5-NITRO-2-THIAZOLYL)-1-(5-Nitro-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2,5-diol
Database identifiers
- CAS
72589-88-9- PubChem CID
- 51626
- DTXSID
DTXSID10993439- Nikkaji
- J62.591D
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
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Related reactions
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Compound notes
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