5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one

C18H23N3O4Si — CID 165406423

IUPAC5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one
SMILESC[Si](C)(C)CCOCn1nc(N2Cc3cc(O)ccc3C2=O)ccc1=O
InChIInChI=1S/C18H23N3O4Si/c1-26(2,3)9-8-25-12-21-17(23)7-6-16(19-21)20-11-13-10-14(22)4-5-15(13)18(20)24/h4-7,10,22H,8-9,11-12H2,1-3H3
InChIKeyYONPJTKTLUVUQH-UHFFFAOYSA-N
MW373.49 g/mol
LogP2.42
Rot. Bonds6

About 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one

5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one (PubChem CID 165406423) has the molecular formula C18H23N3O4Si and a molecular weight of 373.49 g/mol. Its IUPAC name is 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one
PubChem CID165406423
Molecular FormulaC18H23N3O4Si
Molecular Weight373.49 g/mol
Exact Mass373.15
IUPAC Name5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one
SMILESC[Si](C)(C)CCOCn1nc(N2Cc3cc(O)ccc3C2=O)ccc1=O
InChIInChI=1S/C18H23N3O4Si/c1-26(2,3)9-8-25-12-21-17(23)7-6-16(19-21)20-11-13-10-14(22)4-5-15(13)18(20)24/h4-7,10,22H,8-9,11-12H2,1-3H3
InChIKeyYONPJTKTLUVUQH-UHFFFAOYSA-N
XLogP2.42
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isoindol-1-one
CID 165406379
dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate
CID 174189987
5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one
CID 165406438
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-3-fluorophenol
CID 153483547
5-[(6-fluoro-5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one
CID 165406376
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-amine
CID 141449114
3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol
CID 136640945
4-[5-cyclopropyl-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenol
CID 153483568
5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one
CID 71427499
methyl 4-amino-3-[4-amino-3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]benzoate
CID 171630161
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
2-(5-chloro-2-pyridinyl)-5-methyl-3H-isoindol-1-one
CID 71084137

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one?
The IUPAC name of 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one (CID 165406423) is 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one.
What is the SMILES notation for 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one?
The canonical SMILES for 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one is C[Si](C)(C)CCOCn1nc(N2Cc3cc(O)ccc3C2=O)ccc1=O.
What is the InChIKey of 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one?
The InChIKey is YONPJTKTLUVUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4Si/c1-26(2,3)9-8-25-12-21-17(23)7-6-16(19-21)20-11-13-10-14(22)4-5-15(13)18(20)24/h4-7,10,22H,8-9,11-12H2,1-3H3.
What are the key properties of 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one?
5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one has a molecular weight of 373.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one is sourced from PubChem (CID 165406423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).