4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione

C12H12N2O2 — CID 22424260

IUPAC4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione
SMILESCc1cc(C)cc(-n2cc[nH]c(=O)c2=O)c1
InChIInChI=1S/C12H12N2O2/c1-8-5-9(2)7-10(6-8)14-4-3-13-11(15)12(14)16/h3-7H,1-2H3,(H,13,15)
InChIKeyAJMFUUZKMKHLFQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.14
Rot. Bonds1

About 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione

4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione (PubChem CID 22424260) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione
PubChem CID22424260
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione
SMILESCc1cc(C)cc(-n2cc[nH]c(=O)c2=O)c1
InChIInChI=1S/C12H12N2O2/c1-8-5-9(2)7-10(6-8)14-4-3-13-11(15)12(14)16/h3-7H,1-2H3,(H,13,15)
InChIKeyAJMFUUZKMKHLFQ-UHFFFAOYSA-N
XLogP1.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione?
The IUPAC name of 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione (CID 22424260) is 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione?
The canonical SMILES for 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione is Cc1cc(C)cc(-n2cc[nH]c(=O)c2=O)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione?
The InChIKey is AJMFUUZKMKHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-5-9(2)7-10(6-8)14-4-3-13-11(15)12(14)16/h3-7H,1-2H3,(H,13,15).
What are the key properties of 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione?
4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione has a molecular weight of 216.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-1H-pyrazine-2,3-dione is sourced from PubChem (CID 22424260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).