3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid

C6H8N2O3 — CID 175561025

IUPAC3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
SMILESCC1C(=O)NC=CN1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-4-5(9)7-2-3-8(4)6(10)11/h2-4H,1H3,(H,7,9)(H,10,11)
InChIKeyINJLKBBFSIWEKZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.04
Rot. Bonds

About 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid

3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid (PubChem CID 175561025) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
PubChem CID175561025
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid
SMILESCC1C(=O)NC=CN1C(=O)O
InChIInChI=1S/C6H8N2O3/c1-4-5(9)7-2-3-8(4)6(10)11/h2-4H,1H3,(H,7,9)(H,10,11)
InChIKeyINJLKBBFSIWEKZ-UHFFFAOYSA-N
XLogP-0.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid (CID 175561025) is 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid is CC1C(=O)NC=CN1C(=O)O.
What is the InChIKey of 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid?
The InChIKey is INJLKBBFSIWEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-4-5(9)7-2-3-8(4)6(10)11/h2-4H,1H3,(H,7,9)(H,10,11).
What are the key properties of 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid?
3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1,3-dihydropyrazine-4-carboxylic acid is sourced from PubChem (CID 175561025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).