4-methyl-1H-pyrazine-2,3-dione

C5H6N2O2 — CID 13366344

IUPAC4-methyl-1H-pyrazine-2,3-dione
SMILESCn1cc[nH]c(=O)c1=O
InChIInChI=1S/C5H6N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H,1H3,(H,6,8)
InChIKeyDRAOJHYAARPEKO-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.93
Rot. Bonds

About 4-methyl-1H-pyrazine-2,3-dione

4-methyl-1H-pyrazine-2,3-dione (PubChem CID 13366344) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-methyl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-methyl-1H-pyrazine-2,3-dione
PubChem CID13366344
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name4-methyl-1H-pyrazine-2,3-dione
SMILESCn1cc[nH]c(=O)c1=O
InChIInChI=1S/C5H6N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H,1H3,(H,6,8)
InChIKeyDRAOJHYAARPEKO-UHFFFAOYSA-N
XLogP-0.93
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methyl-1H-pyrazine-2,3-dione?
The IUPAC name of 4-methyl-1H-pyrazine-2,3-dione (CID 13366344) is 4-methyl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-methyl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-methyl-1H-pyrazine-2,3-dione is Cn1cc[nH]c(=O)c1=O.
What is the InChIKey of 4-methyl-1H-pyrazine-2,3-dione?
The InChIKey is DRAOJHYAARPEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-7-3-2-6-4(8)5(7)9/h2-3H,1H3,(H,6,8).
What are the key properties of 4-methyl-1H-pyrazine-2,3-dione?
4-methyl-1H-pyrazine-2,3-dione has a molecular weight of 126.11 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 13366344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).