1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione

C19H16F2N2O2 — CID 95917593

IUPAC1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
SMILESCc1cc(C)cc(-n2ccn(Cc3cc(F)ccc3F)c(=O)c2=O)c1
InChIInChI=1S/C19H16F2N2O2/c1-12-7-13(2)9-16(8-12)23-6-5-22(18(24)19(23)25)11-14-10-15(20)3-4-17(14)21/h3-10H,11H2,1-2H3
InChIKeyYTHZMMSQNMAJOX-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.94
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione

1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione (PubChem CID 95917593) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
PubChem CID95917593
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione
SMILESCc1cc(C)cc(-n2ccn(Cc3cc(F)ccc3F)c(=O)c2=O)c1
InChIInChI=1S/C19H16F2N2O2/c1-12-7-13(2)9-16(8-12)23-6-5-22(18(24)19(23)25)11-14-10-15(20)3-4-17(14)21/h3-10H,11H2,1-2H3
InChIKeyYTHZMMSQNMAJOX-UHFFFAOYSA-N
XLogP2.94
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
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 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione (CID 95917593) is 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione is Cc1cc(C)cc(-n2ccn(Cc3cc(F)ccc3F)c(=O)c2=O)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione?
The InChIKey is YTHZMMSQNMAJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-12-7-13(2)9-16(8-12)23-6-5-22(18(24)19(23)25)11-14-10-15(20)3-4-17(14)21/h3-10H,11H2,1-2H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione?
1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione has a molecular weight of 342.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethylphenyl)pyrazine-2,3-dione is sourced from PubChem (CID 95917593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).