tert-butyl 5-ethoxypyrazine-2-carboxylate

C11H16N2O3 — CID 126486669

IUPACtert-butyl 5-ethoxypyrazine-2-carboxylate
SMILESCCOc1cnc(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H16N2O3/c1-5-15-9-7-12-8(6-13-9)10(14)16-11(2,3)4/h6-7H,5H2,1-4H3
InChIKeyOXPIWHFYFVYKSA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.83
Rot. Bonds3

About tert-butyl 5-ethoxypyrazine-2-carboxylate

tert-butyl 5-ethoxypyrazine-2-carboxylate (PubChem CID 126486669) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl 5-ethoxypyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-ethoxypyrazine-2-carboxylate
PubChem CID126486669
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl 5-ethoxypyrazine-2-carboxylate
SMILESCCOc1cnc(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C11H16N2O3/c1-5-15-9-7-12-8(6-13-9)10(14)16-11(2,3)4/h6-7H,5H2,1-4H3
InChIKeyOXPIWHFYFVYKSA-UHFFFAOYSA-N
XLogP1.83
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethoxypyrazine-2-carboxylate?
The IUPAC name of tert-butyl 5-ethoxypyrazine-2-carboxylate (CID 126486669) is tert-butyl 5-ethoxypyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-ethoxypyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 5-ethoxypyrazine-2-carboxylate is CCOc1cnc(C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 5-ethoxypyrazine-2-carboxylate?
The InChIKey is OXPIWHFYFVYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-5-15-9-7-12-8(6-13-9)10(14)16-11(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of tert-butyl 5-ethoxypyrazine-2-carboxylate?
tert-butyl 5-ethoxypyrazine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethoxypyrazine-2-carboxylate is sourced from PubChem (CID 126486669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).