4,6-dimethyl-1H-pyrazine-2,3-dione

C6H8N2O2 — CID 20646804

IUPAC4,6-dimethyl-1H-pyrazine-2,3-dione
SMILESCc1cn(C)c(=O)c(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4-3-8(2)6(10)5(9)7-4/h3H,1-2H3,(H,7,9)
InChIKeyFJCCEFBPZCRTHQ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.62
Rot. Bonds

About 4,6-dimethyl-1H-pyrazine-2,3-dione

4,6-dimethyl-1H-pyrazine-2,3-dione (PubChem CID 20646804) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 4,6-dimethyl-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4,6-dimethyl-1H-pyrazine-2,3-dione
PubChem CID20646804
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name4,6-dimethyl-1H-pyrazine-2,3-dione
SMILESCc1cn(C)c(=O)c(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-4-3-8(2)6(10)5(9)7-4/h3H,1-2H3,(H,7,9)
InChIKeyFJCCEFBPZCRTHQ-UHFFFAOYSA-N
XLogP-0.62
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methylpyrazine-2,3(1H,4H)-dione
CID 12402307
2-Acetamido-N,N-dimethylprop-2-enamide
CID 71361752
Methylen-methyl-diketopiperazin
CID 129639985
N,N'-diacetylpropylene-1,2-diamine
CID 146681442
N,N,N'-triacetylpropylene-1,2-diamine
CID 146681464
1-(2,6-dimethyl-1H-pyrazin-4-yl)ethanone
CID 73556760
2,5-dimethyl-2,4-dihydro-1H-pyrazin-3-one
CID 146684659
1-Isopropyl-1,4-dihydropyrazine-2,3-dione
CID 13366346
4-acetyl-2,3-dihydro-1H-pyrazine-5-carboxamide
CID 18688654
5-methyl-4-(2-oxopropyl)-1H-pyrazine-2,3-dione
CID 18741244
(4-Methyl-2-oxo-1,3-dihydroimidazol-1-yl)acetamide
CID 19350748
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-pyrazine-2,3-dione?
The IUPAC name of 4,6-dimethyl-1H-pyrazine-2,3-dione (CID 20646804) is 4,6-dimethyl-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4,6-dimethyl-1H-pyrazine-2,3-dione?
The canonical SMILES for 4,6-dimethyl-1H-pyrazine-2,3-dione is Cc1cn(C)c(=O)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-1H-pyrazine-2,3-dione?
The InChIKey is FJCCEFBPZCRTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-4-3-8(2)6(10)5(9)7-4/h3H,1-2H3,(H,7,9).
What are the key properties of 4,6-dimethyl-1H-pyrazine-2,3-dione?
4,6-dimethyl-1H-pyrazine-2,3-dione has a molecular weight of 140.14 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-pyrazine-2,3-dione is sourced from PubChem (CID 20646804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).