tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate

C16H22N2O8 — CID 154144676

IUPACtetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)NC(C(=O)OCC)=C(C(=O)OCC)N1
InChIInChI=1S/C16H22N2O8/c1-5-23-13(19)9-10(14(20)24-6-2)18-12(16(22)26-8-4)11(17-9)15(21)25-7-3/h17-18H,5-8H2,1-4H3
InChIKeyZLWVRPOHIGWQQM-UHFFFAOYSA-N
MW370.36 g/mol
LogP-0.15
Rot. Bonds8

About tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate

tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate (PubChem CID 154144676) has the molecular formula C16H22N2O8 and a molecular weight of 370.36 g/mol. Its IUPAC name is tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
PubChem CID154144676
Molecular FormulaC16H22N2O8
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Nametetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)NC(C(=O)OCC)=C(C(=O)OCC)N1
InChIInChI=1S/C16H22N2O8/c1-5-23-13(19)9-10(14(20)24-6-2)18-12(16(22)26-8-4)11(17-9)15(21)25-7-3/h17-18H,5-8H2,1-4H3
InChIKeyZLWVRPOHIGWQQM-UHFFFAOYSA-N
XLogP-0.15
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-methyl-1,4-dihydroquinoxaline-2-carboxylate
CID 71194784
diethyl 2,6-dimethyl-4-(2-methylpropyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 90371743
diethyl 2-sulfanylidene-1,3-dihydroimidazole-4,5-dicarboxylate
CID 4271345
5-ethoxycarbonyl-2,6-dimethyl-4-propyl-1,4-dihydropyridine-3-carboxylic acid
CID 23220426
3-O-ethyl 5-O-fluoro 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 143531548
diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
CID 66922689
ethyl 5-methyl-2-oxo-3H-1,3-oxazole-4-carboxylate
CID 10631006
diethyl 2,6-dimethyl-4-(2-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3457513
ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514
ethyl 3,4-dichloro-1H-pyrrole-2-carboxylate
CID 130007030
diethyl 2,5-bis(3-ethoxy-3-oxopropanoyl)-1H-pyrrole-3,4-dicarboxylate
CID 134831153
(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)thallium
CID 10951554

Frequently Asked Questions

What is the IUPAC name of tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate?
The IUPAC name of tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate (CID 154144676) is tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate.
What is the SMILES notation for tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate?
The canonical SMILES for tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate is CCOC(=O)C1=C(C(=O)OCC)NC(C(=O)OCC)=C(C(=O)OCC)N1.
What is the InChIKey of tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate?
The InChIKey is ZLWVRPOHIGWQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O8/c1-5-23-13(19)9-10(14(20)24-6-2)18-12(16(22)26-8-4)11(17-9)15(21)25-7-3/h17-18H,5-8H2,1-4H3.
What are the key properties of tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate?
tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate has a molecular weight of 370.36 g/mol, XLogP of -0.15, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetraethyl 1,4-dihydropyrazine-2,3,5,6-tetracarboxylate is sourced from PubChem (CID 154144676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).