5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one

C17H26N2O3Si — CID 170983030

IUPAC5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one
SMILESCC(CO)c1cccc2c(=O)n(COCC[Si](C)(C)C)ncc12
InChIInChI=1S/C17H26N2O3Si/c1-13(11-20)14-6-5-7-15-16(14)10-18-19(17(15)21)12-22-8-9-23(2,3)4/h5-7,10,13,20H,8-9,11-12H2,1-4H3
InChIKeyHJEKXGZJVJSDBI-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.80
Rot. Bonds7

About 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one

5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one (PubChem CID 170983030) has the molecular formula C17H26N2O3Si and a molecular weight of 334.49 g/mol. Its IUPAC name is 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one.

Molecular Properties

Compound Name5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one
PubChem CID170983030
Molecular FormulaC17H26N2O3Si
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one
SMILESCC(CO)c1cccc2c(=O)n(COCC[Si](C)(C)C)ncc12
InChIInChI=1S/C17H26N2O3Si/c1-13(11-20)14-6-5-7-15-16(14)10-18-19(17(15)21)12-22-8-9-23(2,3)4/h5-7,10,13,20H,8-9,11-12H2,1-4H3
InChIKeyHJEKXGZJVJSDBI-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
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

[7-chloro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]methanol
CID 163209326
(1R)-1-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-4-yl]ethane-1,2-diol
CID 165175424
(E)-3-[2-[4-oxo-5-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-d]pyridazin-1-yl]ethoxy]prop-2-enoic acid
CID 174186320
4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 152639581
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 167442852
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione
CID 167442811
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212
2-[(4,5-dimethylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 174041088
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
CID 171502060

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one?
The IUPAC name of 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one (CID 170983030) is 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one.
What is the SMILES notation for 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one?
The canonical SMILES for 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one is CC(CO)c1cccc2c(=O)n(COCC[Si](C)(C)C)ncc12.
What is the InChIKey of 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one?
The InChIKey is HJEKXGZJVJSDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3Si/c1-13(11-20)14-6-5-7-15-16(14)10-18-19(17(15)21)12-22-8-9-23(2,3)4/h5-7,10,13,20H,8-9,11-12H2,1-4H3.
What are the key properties of 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one?
5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one has a molecular weight of 334.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one is sourced from PubChem (CID 170983030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).