Ethyl 5-hydroxy-3-(hydroxy(oxido)amino)-7-methoxy-1H-5lambda(5)-pyrrolo(2,3-d)pyridazine-2-carboxylate
Basic information
- CAS
50450-96-9- Standard SMILES
CCOC(=O)c1[nH]c2c(c1N([O-])O)=CN(O)NC=2OC- InChIKey
JSTMHYLSJUXSOH-UHFFFAOYSA-N- Molecular formula
- C10H13N4O6-
- Average molar mass
- 285.23 g/mol
- Monoisotopic mass
- 285.08350915
Names & identifiers
- Preferred name
- Ethyl 5-hydroxy-3-(hydroxy(oxido)amino)-7-methoxy-1H-5lambda(5)-pyrrolo(2,3-d)pyridazine-2-carboxylate
- IUPAC
- ethyl 5-hydroxy-3-[hydroxy(oxido)amino]-7-methoxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylate
Names & synonyms
NSC 192996Ethyl 5-hydroxy-3-(hydroxy(oxido)amino)-7-methoxy-1H-5lambda(5)-pyrrolo(2,3-d)pyridazine-2-carboxylateethyl 3-(dihydroxyamino)-5-hydroxy-7-methoxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylateEthyl 5-hydroxy-3-(hydroxy(oxido)amino)-7-methoxy-1H-5.lambda.~5~-pyrrolo[2,3-d]pyridazine-2-carboxylate
Database identifiers
- CAS
50450-96-9- PubChem CID
- 494167
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- -1
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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