2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one

C10H18N2O2Si — CID 175932260

IUPAC2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one
SMILESCn1nccc(OCC[Si](C)(C)C)c1=O
InChIInChI=1S/C10H18N2O2Si/c1-12-10(13)9(5-6-11-12)14-7-8-15(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyNZAMCIDVNKJSAM-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one

2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one (PubChem CID 175932260) has the molecular formula C10H18N2O2Si and a molecular weight of 226.35 g/mol. Its IUPAC name is 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one
PubChem CID175932260
Molecular FormulaC10H18N2O2Si
Molecular Weight226.35 g/mol
Exact Mass226.11
IUPAC Name2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one
SMILESCn1nccc(OCC[Si](C)(C)C)c1=O
InChIInChI=1S/C10H18N2O2Si/c1-12-10(13)9(5-6-11-12)14-7-8-15(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyNZAMCIDVNKJSAM-UHFFFAOYSA-N
XLogP1.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one?
The IUPAC name of 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one (CID 175932260) is 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one.
What is the SMILES notation for 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one?
The canonical SMILES for 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one is Cn1nccc(OCC[Si](C)(C)C)c1=O.
What is the InChIKey of 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one?
The InChIKey is NZAMCIDVNKJSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2Si/c1-12-10(13)9(5-6-11-12)14-7-8-15(2,3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one?
2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one has a molecular weight of 226.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-trimethylsilylethoxy)pyridazin-3-one is sourced from PubChem (CID 175932260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).