diethyl 1H-pyrazine-3,4-dicarboxylate

C10H14N2O4 — CID 70506225

IUPACdiethyl 1H-pyrazine-3,4-dicarboxylate
SMILESCCOC(=O)C1=CNC=CN1C(=O)OCC
InChIInChI=1S/C10H14N2O4/c1-3-15-9(13)8-7-11-5-6-12(8)10(14)16-4-2/h5-7,11H,3-4H2,1-2H3
InChIKeyJYCOLEAKWOXNOY-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.92
Rot. Bonds3

About diethyl 1H-pyrazine-3,4-dicarboxylate

diethyl 1H-pyrazine-3,4-dicarboxylate (PubChem CID 70506225) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is diethyl 1H-pyrazine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1H-pyrazine-3,4-dicarboxylate
PubChem CID70506225
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namediethyl 1H-pyrazine-3,4-dicarboxylate
SMILESCCOC(=O)C1=CNC=CN1C(=O)OCC
InChIInChI=1S/C10H14N2O4/c1-3-15-9(13)8-7-11-5-6-12(8)10(14)16-4-2/h5-7,11H,3-4H2,1-2H3
InChIKeyJYCOLEAKWOXNOY-UHFFFAOYSA-N
XLogP0.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 1H-pyrazine-3,4-dicarboxylate?
The IUPAC name of diethyl 1H-pyrazine-3,4-dicarboxylate (CID 70506225) is diethyl 1H-pyrazine-3,4-dicarboxylate.
What is the SMILES notation for diethyl 1H-pyrazine-3,4-dicarboxylate?
The canonical SMILES for diethyl 1H-pyrazine-3,4-dicarboxylate is CCOC(=O)C1=CNC=CN1C(=O)OCC.
What is the InChIKey of diethyl 1H-pyrazine-3,4-dicarboxylate?
The InChIKey is JYCOLEAKWOXNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-15-9(13)8-7-11-5-6-12(8)10(14)16-4-2/h5-7,11H,3-4H2,1-2H3.
What are the key properties of diethyl 1H-pyrazine-3,4-dicarboxylate?
diethyl 1H-pyrazine-3,4-dicarboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1H-pyrazine-3,4-dicarboxylate is sourced from PubChem (CID 70506225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).