ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate

C10H14N2O3 — CID 177322959

IUPACethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c(C(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)7-5-11-9(13)8(12-7)6(2)3/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyZCFALKUFBNPGEG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds3

About ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate

ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate (PubChem CID 177322959) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate
PubChem CID177322959
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)c(C(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)7-5-11-9(13)8(12-7)6(2)3/h5-6H,4H2,1-3H3,(H,11,13)
InChIKeyZCFALKUFBNPGEG-UHFFFAOYSA-N
XLogP1.07
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-bromo-6-oxo-1H-pyrazine-3-carboxylate
CID 117272850
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl 1-phenyl-4-propan-2-ylpyrazolo[4,3-c]pyridine-6-carboxylate
CID 15103621
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
ethyl 5-propan-2-ylpyrazine-2-carboxylate
CID 59617996
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
methyl 5-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 12619145
ethyl 6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 133093182
ethyl 6-oxo-4-propan-2-yl-1H-pyridazine-5-carboxylate
CID 54528927

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate?
The IUPAC name of ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate (CID 177322959) is ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate?
The canonical SMILES for ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate is CCOC(=O)c1c[nH]c(=O)c(C(C)C)n1.
What is the InChIKey of ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate?
The InChIKey is ZCFALKUFBNPGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-15-10(14)7-5-11-9(13)8(12-7)6(2)3/h5-6H,4H2,1-3H3,(H,11,13).
What are the key properties of ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate?
ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-5-propan-2-yl-1H-pyrazine-3-carboxylate is sourced from PubChem (CID 177322959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).