5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one

C17H23ClN2O2Si — CID 144571992

IUPAC5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one
SMILESCC(C)[SiH](c1ccc(COc2cn[nH]c(=O)c2Cl)cc1)C(C)C
InChIInChI=1S/C17H23ClN2O2Si/c1-11(2)23(12(3)4)14-7-5-13(6-8-14)10-22-15-9-19-20-17(21)16(15)18/h5-9,11-12,23H,10H2,1-4H3,(H,20,21)
InChIKeyJGVUBURURQPVMO-UHFFFAOYSA-N
MW350.92 g/mol
LogP3.26
Rot. Bonds6

About 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one

5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one (PubChem CID 144571992) has the molecular formula C17H23ClN2O2Si and a molecular weight of 350.92 g/mol. Its IUPAC name is 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one
PubChem CID144571992
Molecular FormulaC17H23ClN2O2Si
Molecular Weight350.92 g/mol
Exact Mass350.12
IUPAC Name5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one
SMILESCC(C)[SiH](c1ccc(COc2cn[nH]c(=O)c2Cl)cc1)C(C)C
InChIInChI=1S/C17H23ClN2O2Si/c1-11(2)23(12(3)4)14-7-5-13(6-8-14)10-22-15-9-19-20-17(21)16(15)18/h5-9,11-12,23H,10H2,1-4H3,(H,20,21)
InChIKeyJGVUBURURQPVMO-UHFFFAOYSA-N
XLogP3.26
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 53.26
H-Bond Donors ≤ 51
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 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one (CID 144571992) is 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one is CC(C)[SiH](c1ccc(COc2cn[nH]c(=O)c2Cl)cc1)C(C)C.
What is the InChIKey of 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one?
The InChIKey is JGVUBURURQPVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2Si/c1-11(2)23(12(3)4)14-7-5-13(6-8-14)10-22-15-9-19-20-17(21)16(15)18/h5-9,11-12,23H,10H2,1-4H3,(H,20,21).
What are the key properties of 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one?
5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one has a molecular weight of 350.92 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-di(propan-2-yl)silylphenyl]methoxy]-1H-pyridazin-6-one is sourced from PubChem (CID 144571992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).