5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione

C11H10N2O2 — CID 121221963

IUPAC5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione
SMILESCc1[nH]c(=O)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)13-11(15)10(14)12-7/h2-6H,1H3,(H,12,14)(H,13,15)
InChIKeyTZTUJFQYVLSZSZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.04
Rot. Bonds1

About 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione

5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione (PubChem CID 121221963) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione.

Molecular Properties

Compound Name5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione
PubChem CID121221963
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione
SMILESCc1[nH]c(=O)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)13-11(15)10(14)12-7/h2-6H,1H3,(H,12,14)(H,13,15)
InChIKeyTZTUJFQYVLSZSZ-UHFFFAOYSA-N
XLogP1.04
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 54683716
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
1,5-dimethyl-6-phenyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one
CID 139721034
1-methyl-3-phenyl-2H-isoindole
CID 13307622
5-bromo-6-methyl-3-phenyl-1H-pyrazin-2-one
CID 165356399
5-methyl-4,6-diphenyl-1H-pyridin-2-one
CID 14120548
2-methyl-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 14269650
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 142818982
1,4-dihydrobenzo[g]quinoxaline-2,3,5,10-tetrone
CID 121014847
4-(3-hydroxyphenyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 105444052
2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione?
The IUPAC name of 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione (CID 121221963) is 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione.
What is the SMILES notation for 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione?
The canonical SMILES for 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione is Cc1[nH]c(=O)c(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione?
The InChIKey is TZTUJFQYVLSZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)13-11(15)10(14)12-7/h2-6H,1H3,(H,12,14)(H,13,15).
What are the key properties of 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione?
5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione has a molecular weight of 202.21 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-1,4-dihydropyrazine-2,3-dione is sourced from PubChem (CID 121221963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).