4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate

C12H20N2O4 — CID 11128927

IUPAC4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate
SMILESCCOC(=O)C1=CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O4/c1-5-17-10(15)9-8-13-6-7-14(9)11(16)18-12(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyMTOHQDDJVYIXLQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.23
Rot. Bonds2

About 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate

4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate (PubChem CID 11128927) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate.

Molecular Properties

Compound Name4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate
PubChem CID11128927
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate
SMILESCCOC(=O)C1=CNCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H20N2O4/c1-5-17-10(15)9-8-13-6-7-14(9)11(16)18-12(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyMTOHQDDJVYIXLQ-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate?
The IUPAC name of 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate (CID 11128927) is 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate.
What is the SMILES notation for 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate?
The canonical SMILES for 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate is CCOC(=O)C1=CNCCN1C(=O)OC(C)(C)C.
What is the InChIKey of 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate?
The InChIKey is MTOHQDDJVYIXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-5-17-10(15)9-8-13-6-7-14(9)11(16)18-12(2,3)4/h8,13H,5-7H2,1-4H3.
What are the key properties of 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate?
4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate has a molecular weight of 256.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-tert-butyl 5-O-ethyl 2,3-dihydro-1H-pyrazine-4,5-dicarboxylate is sourced from PubChem (CID 11128927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).