2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid

C7H8N2O4 — CID 70097040

IUPAC2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid
SMILESCc1c[nH]c(=O)c(=O)n1CC(=O)O
InChIInChI=1S/C7H8N2O4/c1-4-2-8-6(12)7(13)9(4)3-5(10)11/h2H,3H2,1H3,(H,8,12)(H,10,11)
InChIKeyRDYNRKJGSLDLNX-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.07
Rot. Bonds2

About 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid

2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid (PubChem CID 70097040) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid
PubChem CID70097040
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid
SMILESCc1c[nH]c(=O)c(=O)n1CC(=O)O
InChIInChI=1S/C7H8N2O4/c1-4-2-8-6(12)7(13)9(4)3-5(10)11/h2H,3H2,1H3,(H,8,12)(H,10,11)
InChIKeyRDYNRKJGSLDLNX-UHFFFAOYSA-N
XLogP-1.07
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid?
The IUPAC name of 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid (CID 70097040) is 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid is Cc1c[nH]c(=O)c(=O)n1CC(=O)O.
What is the InChIKey of 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid?
The InChIKey is RDYNRKJGSLDLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4-2-8-6(12)7(13)9(4)3-5(10)11/h2H,3H2,1H3,(H,8,12)(H,10,11).
What are the key properties of 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid?
2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid has a molecular weight of 184.15 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dioxo-1H-pyrazin-4-yl)acetic acid is sourced from PubChem (CID 70097040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).