2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one

C14H18N2OSi — CID 103438545

IUPAC2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one
SMILESC[Si](C)(C)c1ccc(Cn2ncccc2=O)cc1
InChIInChI=1S/C14H18N2OSi/c1-18(2,3)13-8-6-12(7-9-13)11-16-14(17)5-4-10-15-16/h4-10H,11H2,1-3H3
InChIKeyGIOANFXEHFEAEW-UHFFFAOYSA-N
MW258.40 g/mol
LogP1.84
Rot. Bonds3

About 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one

2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one (PubChem CID 103438545) has the molecular formula C14H18N2OSi and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one
PubChem CID103438545
Molecular FormulaC14H18N2OSi
Molecular Weight258.40 g/mol
Exact Mass258.12
IUPAC Name2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one
SMILESC[Si](C)(C)c1ccc(Cn2ncccc2=O)cc1
InChIInChI=1S/C14H18N2OSi/c1-18(2,3)13-8-6-12(7-9-13)11-16-14(17)5-4-10-15-16/h4-10H,11H2,1-3H3
InChIKeyGIOANFXEHFEAEW-UHFFFAOYSA-N
XLogP1.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one (CID 103438545) is 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one is C[Si](C)(C)c1ccc(Cn2ncccc2=O)cc1.
What is the InChIKey of 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one?
The InChIKey is GIOANFXEHFEAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OSi/c1-18(2,3)13-8-6-12(7-9-13)11-16-14(17)5-4-10-15-16/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one?
2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one has a molecular weight of 258.40 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-trimethylsilylphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 103438545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).