ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate

C8H10N2O3 — CID 130116351

IUPACethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
SMILESCCOC(=O)c1ncc(=O)[nH]c1C
InChIInChI=1S/C8H10N2O3/c1-3-13-8(12)7-5(2)10-6(11)4-9-7/h4H,3H2,1-2H3,(H,10,11)
InChIKeyIWHXGKVFDSUHCE-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.26
Rot. Bonds2

About ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate

ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate (PubChem CID 130116351) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
PubChem CID130116351
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
SMILESCCOC(=O)c1ncc(=O)[nH]c1C
InChIInChI=1S/C8H10N2O3/c1-3-13-8(12)7-5(2)10-6(11)4-9-7/h4H,3H2,1-2H3,(H,10,11)
InChIKeyIWHXGKVFDSUHCE-UHFFFAOYSA-N
XLogP0.26
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
CID 177047247
CID 177047247
ethyl 5-amino-3-fluoropyridine-2-carboxylate
CID 119005075
ethyl 5-methyl-1H-imidazole-4-carboxylate;5-methyl-1H-imidazole-4-carboxylic acid
CID 157269829
ethyl 3,5-diethylpyridine-2-carboxylate
CID 67884033
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 141464389
ethyl 5-methyl-3-methylsulfonylpyridine-2-carboxylate
CID 59488726
ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate
CID 117272940
ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
ethyl 5-methyl-2-methylsulfonyl-1H-imidazole-4-carboxylate
CID 69175733
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate (CID 130116351) is ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate is CCOC(=O)c1ncc(=O)[nH]c1C.
What is the InChIKey of ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate?
The InChIKey is IWHXGKVFDSUHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-13-8(12)7-5(2)10-6(11)4-9-7/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate?
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate is sourced from PubChem (CID 130116351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).