6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione

C13H6F3N3O2 — CID 695123

IUPAC6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESO=C1c2nccnc2C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H6F3N3O2/c14-13(15,16)7-1-3-8(4-2-7)19-11(20)9-10(12(19)21)18-6-5-17-9/h1-6H
InChIKeyJMSYUQMFFUOONH-UHFFFAOYSA-N
MW293.20 g/mol
LogP2.30
Rot. Bonds1

About 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione

6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione (PubChem CID 695123) has the molecular formula C13H6F3N3O2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione
PubChem CID695123
Molecular FormulaC13H6F3N3O2
Molecular Weight293.20 g/mol
Exact Mass293.04
IUPAC Name6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione
SMILESO=C1c2nccnc2C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H6F3N3O2/c14-13(15,16)7-1-3-8(4-2-7)19-11(20)9-10(12(19)21)18-6-5-17-9/h1-6H
InChIKeyJMSYUQMFFUOONH-UHFFFAOYSA-N
XLogP2.30
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-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 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione (CID 695123) is 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione is O=C1c2nccnc2C(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione?
The InChIKey is JMSYUQMFFUOONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N3O2/c14-13(15,16)7-1-3-8(4-2-7)19-11(20)9-10(12(19)21)18-6-5-17-9/h1-6H.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione?
6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione has a molecular weight of 293.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]pyrrolo[3,4-b]pyrazine-5,7-dione is sourced from PubChem (CID 695123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).