6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

C12H22N2O3Si — CID 171475099

IUPAC6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
SMILESCC(O)c1ccc(=O)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C12H22N2O3Si/c1-10(15)11-5-6-12(16)14(13-11)9-17-7-8-18(2,3)4/h5-6,10,15H,7-9H2,1-4H3
InChIKeyUSWWTMKDALTXSJ-UHFFFAOYSA-N
MW270.41 g/mol
LogP1.61
Rot. Bonds6

About 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one

6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (PubChem CID 171475099) has the molecular formula C12H22N2O3Si and a molecular weight of 270.41 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
PubChem CID171475099
Molecular FormulaC12H22N2O3Si
Molecular Weight270.41 g/mol
Exact Mass270.14
IUPAC Name6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
SMILESCC(O)c1ccc(=O)n(COCC[Si](C)(C)C)n1
InChIInChI=1S/C12H22N2O3Si/c1-10(15)11-5-6-12(16)14(13-11)9-17-7-8-18(2,3)4/h5-6,10,15H,7-9H2,1-4H3
InChIKeyUSWWTMKDALTXSJ-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The IUPAC name of 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one (CID 171475099) is 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The canonical SMILES for 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is CC(O)c1ccc(=O)n(COCC[Si](C)(C)C)n1.
What is the InChIKey of 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
The InChIKey is USWWTMKDALTXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3Si/c1-10(15)11-5-6-12(16)14(13-11)9-17-7-8-18(2,3)4/h5-6,10,15H,7-9H2,1-4H3.
What are the key properties of 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one?
6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one has a molecular weight of 270.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 171475099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).