7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

C13H7F3N6O2 — CID 19438784

IUPAC7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESO=c1[nH]c2cc(-n3ccnc3)c(C(F)(F)F)cc2n2c(=O)[nH]nc12
InChIInChI=1S/C13H7F3N6O2/c14-13(15,16)6-3-9-7(4-8(6)21-2-1-17-5-21)18-11(23)10-19-20-12(24)22(9)10/h1-5H,(H,18,23)(H,20,24)
InChIKeyWMXVJVRILVKTIS-UHFFFAOYSA-N
MW336.23 g/mol
LogP1.07
Rot. Bonds1

About 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 19438784) has the molecular formula C13H7F3N6O2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID19438784
Molecular FormulaC13H7F3N6O2
Molecular Weight336.23 g/mol
Exact Mass336.06
IUPAC Name7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESO=c1[nH]c2cc(-n3ccnc3)c(C(F)(F)F)cc2n2c(=O)[nH]nc12
InChIInChI=1S/C13H7F3N6O2/c14-13(15,16)6-3-9-7(4-8(6)21-2-1-17-5-21)18-11(23)10-19-20-12(24)22(9)10/h1-5H,(H,18,23)(H,20,24)
InChIKeyWMXVJVRILVKTIS-UHFFFAOYSA-N
XLogP1.07
TPSA100.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-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 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 19438784) is 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.
What is the SMILES notation for 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is O=c1[nH]c2cc(-n3ccnc3)c(C(F)(F)F)cc2n2c(=O)[nH]nc12.
What is the InChIKey of 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is WMXVJVRILVKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N6O2/c14-13(15,16)6-3-9-7(4-8(6)21-2-1-17-5-21)18-11(23)10-19-20-12(24)22(9)10/h1-5H,(H,18,23)(H,20,24).
What are the key properties of 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 336.23 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-8-(trifluoromethyl)-2,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 19438784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).