ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate

C13H22N2O5Si — CID 140713204

IUPACethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(COCC[Si](C)(C)C)cc(O)c1=O
InChIInChI=1S/C13H22N2O5Si/c1-5-20-13(18)11-12(17)10(16)8-15(14-11)9-19-6-7-21(2,3)4/h8,16H,5-7,9H2,1-4H3
InChIKeyGXRDYIQIMHLXQV-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.44
Rot. Bonds7

About ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate

ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate (PubChem CID 140713204) has the molecular formula C13H22N2O5Si and a molecular weight of 314.41 g/mol. Its IUPAC name is ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate
PubChem CID140713204
Molecular FormulaC13H22N2O5Si
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nameethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(COCC[Si](C)(C)C)cc(O)c1=O
InChIInChI=1S/C13H22N2O5Si/c1-5-20-13(18)11-12(17)10(16)8-15(14-11)9-19-6-7-21(2,3)4/h8,16H,5-7,9H2,1-4H3
InChIKeyGXRDYIQIMHLXQV-UHFFFAOYSA-N
XLogP1.44
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate (CID 140713204) is ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate is CCOC(=O)c1nn(COCC[Si](C)(C)C)cc(O)c1=O.
What is the InChIKey of ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate?
The InChIKey is GXRDYIQIMHLXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5Si/c1-5-20-13(18)11-12(17)10(16)8-15(14-11)9-19-6-7-21(2,3)4/h8,16H,5-7,9H2,1-4H3.
What are the key properties of ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate?
ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-4-oxo-1-(2-trimethylsilylethoxymethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 140713204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).