4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride

C6H7ClN2O3 — CID 126796383

IUPAC4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride
SMILESCl.Cn1cc(C(=O)O)ncc1=O
InChIInChI=1S/C6H6N2O3.ClH/c1-8-3-4(6(10)11)7-2-5(8)9;/h2-3H,1H3,(H,10,11);1H
InChIKeyZJHLFDRCPZHLQR-UHFFFAOYSA-N
MW190.59 g/mol
LogP-0.10
Rot. Bonds1

About 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride

4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride (PubChem CID 126796383) has the molecular formula C6H7ClN2O3 and a molecular weight of 190.59 g/mol. Its IUPAC name is 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride
PubChem CID126796383
Molecular FormulaC6H7ClN2O3
Molecular Weight190.59 g/mol
Exact Mass190.01
IUPAC Name4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride
SMILESCl.Cn1cc(C(=O)O)ncc1=O
InChIInChI=1S/C6H6N2O3.ClH/c1-8-3-4(6(10)11)7-2-5(8)9;/h2-3H,1H3,(H,10,11);1H
InChIKeyZJHLFDRCPZHLQR-UHFFFAOYSA-N
XLogP-0.10
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.59
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 138040516
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 138011592
(4-carboxyimidazol-1-yl)thallium
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1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
CID 117189298
CID 67026980
CID 67026980
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
5-methylpyridine-2,4-dicarboxylic acid;hydrochloride
CID 156874397
1-ethylimidazole-4-carboxylic acid;hydrochloride
CID 122156639
6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 22565748
5-methyl-4-oxido(213C,1,4-15N2)pyrazin-4-ium-2-carboxylic acid
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2-(ethylaminomethyl)-1-methylimidazole-4-carboxylic acid
CID 117187445

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride (CID 126796383) is 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride is Cl.Cn1cc(C(=O)O)ncc1=O.
What is the InChIKey of 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride?
The InChIKey is ZJHLFDRCPZHLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.ClH/c1-8-3-4(6(10)11)7-2-5(8)9;/h2-3H,1H3,(H,10,11);1H.
What are the key properties of 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride?
4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride has a molecular weight of 190.59 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 126796383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).