tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate

C12H20N2O3 — CID 89488560

IUPACtert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate
SMILESCCOC1=NC(C(=O)OC(C)(C)C)CN=C1C
InChIInChI=1S/C12H20N2O3/c1-6-16-10-8(2)13-7-9(14-10)11(15)17-12(3,4)5/h9H,6-7H2,1-5H3
InChIKeyZVODXJVGBFSWJO-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate

tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate (PubChem CID 89488560) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate
PubChem CID89488560
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nametert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate
SMILESCCOC1=NC(C(=O)OC(C)(C)C)CN=C1C
InChIInChI=1S/C12H20N2O3/c1-6-16-10-8(2)13-7-9(14-10)11(15)17-12(3,4)5/h9H,6-7H2,1-5H3
InChIKeyZVODXJVGBFSWJO-UHFFFAOYSA-N
XLogP1.61
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 86223118
tert-butyl 2,3-dihydroazete-3-carboxylate
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tert-butyl (5S)-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 67451786
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CID 135504798
tert-butyl 2-ethylcyclopropane-1-carboxylate
CID 58558860
tert-butyl 3-hydroxyiminocyclobutane-1-carboxylate
CID 130475858
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
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tert-butyl (1S,3Z)-3-(2-ethoxy-2-oxoethylidene)cyclopentane-1-carboxylate
CID 59547321
tert-butyl (2S,5S)-5-ethylpyrrolidine-2-carboxylate
CID 70085828
tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate
CID 68733064

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate?
The IUPAC name of tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate (CID 89488560) is tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate.
What is the SMILES notation for tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate?
The canonical SMILES for tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate is CCOC1=NC(C(=O)OC(C)(C)C)CN=C1C.
What is the InChIKey of tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate?
The InChIKey is ZVODXJVGBFSWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6-16-10-8(2)13-7-9(14-10)11(15)17-12(3,4)5/h9H,6-7H2,1-5H3.
What are the key properties of tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate?
tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-ethoxy-5-methyl-2,3-dihydropyrazine-2-carboxylate is sourced from PubChem (CID 89488560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).