5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C13H19N3O2Si — CID 58522443

IUPAC5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=O)c2nccnc21
InChIInChI=1S/C13H19N3O2Si/c1-19(2,3)7-6-18-10-16-8-11(9-17)12-13(16)15-5-4-14-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyILTYCBYOLINWLP-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.56
Rot. Bonds6

About 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 58522443) has the molecular formula C13H19N3O2Si and a molecular weight of 277.40 g/mol. Its IUPAC name is 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
PubChem CID58522443
Molecular FormulaC13H19N3O2Si
Molecular Weight277.40 g/mol
Exact Mass277.12
IUPAC Name5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=O)c2nccnc21
InChIInChI=1S/C13H19N3O2Si/c1-19(2,3)7-6-18-10-16-8-11(9-17)12-13(16)15-5-4-14-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyILTYCBYOLINWLP-UHFFFAOYSA-N
XLogP2.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 58522443) is 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=O)c2nccnc21.
What is the InChIKey of 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is ILTYCBYOLINWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2Si/c1-19(2,3)7-6-18-10-16-8-11(9-17)12-13(16)15-5-4-14-12/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 277.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 58522443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).