3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile

C11H17N3O2Si — CID 172806040

IUPAC3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1nccc(C#N)c1=O
InChIInChI=1S/C11H17N3O2Si/c1-17(2,3)7-6-16-9-14-11(15)10(8-12)4-5-13-14/h4-5H,6-7,9H2,1-3H3
InChIKeyRNGSFVNBZDTKPO-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.43
Rot. Bonds5

About 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile

3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile (PubChem CID 172806040) has the molecular formula C11H17N3O2Si and a molecular weight of 251.36 g/mol. Its IUPAC name is 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
PubChem CID172806040
Molecular FormulaC11H17N3O2Si
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1nccc(C#N)c1=O
InChIInChI=1S/C11H17N3O2Si/c1-17(2,3)7-6-16-9-14-11(15)10(8-12)4-5-13-14/h4-5H,6-7,9H2,1-3H3
InChIKeyRNGSFVNBZDTKPO-UHFFFAOYSA-N
XLogP1.43
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.43
H-Bond Donors ≤ 50
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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Related Compounds

trimethyl-[2-[(5-nitropyrazol-1-yl)methoxy]ethyl]silane
CID 133058723
5-deuterio-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 175932254
2-[(5-ethoxypyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141382450
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]acetonitrile
CID 171832869
4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 152639581
3-oxo-2-propan-2-ylpyridazine-4-carbonitrile
CID 171100629
5-methyl-7-oxo-1-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyridine-6-carbonitrile
CID 131748591
3-(pyridin-4-ylamino)-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carbonitrile
CID 86729366
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 123634189
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile?
The IUPAC name of 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile (CID 172806040) is 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile?
The canonical SMILES for 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile is C[Si](C)(C)CCOCn1nccc(C#N)c1=O.
What is the InChIKey of 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile?
The InChIKey is RNGSFVNBZDTKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2Si/c1-17(2,3)7-6-16-9-14-11(15)10(8-12)4-5-13-14/h4-5H,6-7,9H2,1-3H3.
What are the key properties of 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile?
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile has a molecular weight of 251.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile is sourced from PubChem (CID 172806040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).