6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione

C14H19Cl2N3O3Si — CID 15471536

IUPAC6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCC(C)(C)[Si](C)(C)OCCN1C(=O)c2nc(Cl)c(Cl)nc2C1=O
InChIInChI=1S/C14H19Cl2N3O3Si/c1-14(2,3)23(4,5)22-7-6-19-12(20)8-9(13(19)21)18-11(16)10(15)17-8/h6-7H2,1-5H3
InChIKeyRHSZWUCWKZYZPH-UHFFFAOYSA-N
MW376.32 g/mol
LogP3.40
Rot. Bonds4

About 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione

6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 15471536) has the molecular formula C14H19Cl2N3O3Si and a molecular weight of 376.32 g/mol. Its IUPAC name is 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID15471536
Molecular FormulaC14H19Cl2N3O3Si
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione
SMILESCC(C)(C)[Si](C)(C)OCCN1C(=O)c2nc(Cl)c(Cl)nc2C1=O
InChIInChI=1S/C14H19Cl2N3O3Si/c1-14(2,3)23(4,5)22-7-6-19-12(20)8-9(13(19)21)18-11(16)10(15)17-8/h6-7H2,1-5H3
InChIKeyRHSZWUCWKZYZPH-UHFFFAOYSA-N
XLogP3.40
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethylidene)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethyl]-3-methylimidazolidine-2,4-dione
CID 174058959
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471535
2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]isoindole-1,3-dione
CID 159105396
tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
CID 25232171
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
(5Z)-5-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylimidazolidine-2,4-dione
CID 174060740
O-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hydroxylamine
CID 23132349
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one
CID 140927699
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
CID 165385908
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 70435747
tert-butyl-[2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)ethoxy]-dimethylsilane
CID 169448663
5-[[3-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1,2,4-triazol-1-yl]methylidene]-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylimidazolidine-2,4-dione
CID 174058916

Frequently Asked Questions

What is the IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione (CID 15471536) is 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione is CC(C)(C)[Si](C)(C)OCCN1C(=O)c2nc(Cl)c(Cl)nc2C1=O.
What is the InChIKey of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is RHSZWUCWKZYZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O3Si/c1-14(2,3)23(4,5)22-7-6-19-12(20)8-9(13(19)21)18-11(16)10(15)17-8/h6-7H2,1-5H3.
What are the key properties of 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione?
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 376.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 15471536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).