6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione

C9H4F3N3O2 — CID 73410742

IUPAC6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione
SMILESNc1cc2c(cc1C(F)(F)F)=NC(=O)C(=O)N=2
InChIInChI=1S/C9H4F3N3O2/c10-9(11,12)3-1-5-6(2-4(3)13)15-8(17)7(16)14-5/h1-2H,13H2
InChIKeyVBVZPRBAQIKRDY-UHFFFAOYSA-N
MW243.14 g/mol
LogP-0.41
Rot. Bonds

About 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione

6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione (PubChem CID 73410742) has the molecular formula C9H4F3N3O2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione
PubChem CID73410742
Molecular FormulaC9H4F3N3O2
Molecular Weight243.14 g/mol
Exact Mass243.03
IUPAC Name6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione
SMILESNc1cc2c(cc1C(F)(F)F)=NC(=O)C(=O)N=2
InChIInChI=1S/C9H4F3N3O2/c10-9(11,12)3-1-5-6(2-4(3)13)15-8(17)7(16)14-5/h1-2H,13H2
InChIKeyVBVZPRBAQIKRDY-UHFFFAOYSA-N
XLogP-0.41
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione?
The IUPAC name of 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione (CID 73410742) is 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione.
What is the SMILES notation for 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione?
The canonical SMILES for 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione is Nc1cc2c(cc1C(F)(F)F)=NC(=O)C(=O)N=2.
What is the InChIKey of 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione?
The InChIKey is VBVZPRBAQIKRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3O2/c10-9(11,12)3-1-5-6(2-4(3)13)15-8(17)7(16)14-5/h1-2H,13H2.
What are the key properties of 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione?
6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione has a molecular weight of 243.14 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(trifluoromethyl)quinoxaline-2,3-dione is sourced from PubChem (CID 73410742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).