6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid

C11H20N2O4Si — CID 164820227

IUPAC6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESC[Si](C)(C)CCOCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C11H20N2O4Si/c1-18(2,3)7-6-17-8-13-10(14)5-4-9(12-13)11(15)16/h4-8H2,1-3H3,(H,15,16)
InChIKeyQMVCBVZBEGDCMS-UHFFFAOYSA-N
MW272.38 g/mol
LogP1.36
Rot. Bonds6

About 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 164820227) has the molecular formula C11H20N2O4Si and a molecular weight of 272.38 g/mol. Its IUPAC name is 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID164820227
Molecular FormulaC11H20N2O4Si
Molecular Weight272.38 g/mol
Exact Mass272.12
IUPAC Name6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid
SMILESC[Si](C)(C)CCOCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C11H20N2O4Si/c1-18(2,3)7-6-17-8-13-10(14)5-4-9(12-13)11(15)16/h4-8H2,1-3H3,(H,15,16)
InChIKeyQMVCBVZBEGDCMS-UHFFFAOYSA-N
XLogP1.36
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid (CID 164820227) is 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid is C[Si](C)(C)CCOCN1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is QMVCBVZBEGDCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4Si/c1-18(2,3)7-6-17-8-13-10(14)5-4-9(12-13)11(15)16/h4-8H2,1-3H3,(H,15,16).
What are the key properties of 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 272.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 164820227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).