2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione

C12H15Cl2N3O3Si — CID 15471535

IUPAC2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESC[Si](C)(C)CCOCN1C(=O)c2nc(Cl)c(Cl)nc2C1=O
InChIInChI=1S/C12H15Cl2N3O3Si/c1-21(2,3)5-4-20-6-17-11(18)7-8(12(17)19)16-10(14)9(13)15-7/h4-6H2,1-3H3
InChIKeyVJZXQFQQLIXRCF-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.69
Rot. Bonds5

About 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione

2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 15471535) has the molecular formula C12H15Cl2N3O3Si and a molecular weight of 348.26 g/mol. Its IUPAC name is 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID15471535
Molecular FormulaC12H15Cl2N3O3Si
Molecular Weight348.26 g/mol
Exact Mass347.03
IUPAC Name2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESC[Si](C)(C)CCOCN1C(=O)c2nc(Cl)c(Cl)nc2C1=O
InChIInChI=1S/C12H15Cl2N3O3Si/c1-21(2,3)5-4-20-6-17-11(18)7-8(12(17)19)16-10(14)9(13)15-7/h4-6H2,1-3H3
InChIKeyVJZXQFQQLIXRCF-UHFFFAOYSA-N
XLogP2.69
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,5-dichloro-1-(2-trimethylsilylethoxymethyl)imidazole-2-sulfonyl chloride
CID 86761667
2-[(2,6-dichloro-8-methylpurin-9-yl)methoxy]ethyl-trimethylsilane
CID 142339206
2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
5-bromo-1-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-b]pyridin-2-one
CID 66779522
2-[[3-(2,6-dichloro-4-pyridinyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 87234798
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methanol
CID 171404429
5-bromo-4-chloro-3,3-bis(prop-2-enyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-one
CID 156771651
6-chloro-3-[(3,5-difluorophenyl)methylidene]-1-(2-trimethylsilylethoxymethyl)indol-2-one
CID 76568139
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione (CID 15471535) is 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione is C[Si](C)(C)CCOCN1C(=O)c2nc(Cl)c(Cl)nc2C1=O.
What is the InChIKey of 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is VJZXQFQQLIXRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O3Si/c1-21(2,3)5-4-20-6-17-11(18)7-8(12(17)19)16-10(14)9(13)15-7/h4-6H2,1-3H3.
What are the key properties of 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione?
2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 348.26 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 15471535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).