8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C10H4F4N4O — CID 70510470

IUPAC8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2c(C(F)(F)F)cc(F)cc2n2cnnc12
InChIInChI=1S/C10H4F4N4O/c11-4-1-5(10(12,13)14)7-6(2-4)18-3-15-17-8(18)9(19)16-7/h1-3H,(H,16,19)
InChIKeyFROAOWMCIDIBNU-UHFFFAOYSA-N
MW272.16 g/mol
LogP1.73
Rot. Bonds

About 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 70510470) has the molecular formula C10H4F4N4O and a molecular weight of 272.16 g/mol. Its IUPAC name is 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID70510470
Molecular FormulaC10H4F4N4O
Molecular Weight272.16 g/mol
Exact Mass272.03
IUPAC Name8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2c(C(F)(F)F)cc(F)cc2n2cnnc12
InChIInChI=1S/C10H4F4N4O/c11-4-1-5(10(12,13)14)7-6(2-4)18-3-15-17-8(18)9(19)16-7/h1-3H,(H,16,19)
InChIKeyFROAOWMCIDIBNU-UHFFFAOYSA-N
XLogP1.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 70510470) is 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2c(C(F)(F)F)cc(F)cc2n2cnnc12.
What is the InChIKey of 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is FROAOWMCIDIBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N4O/c11-4-1-5(10(12,13)14)7-6(2-4)18-3-15-17-8(18)9(19)16-7/h1-3H,(H,16,19).
What are the key properties of 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 272.16 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 70510470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).