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

C10H5F3N4O — CID 3843652

IUPAC1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)9-16-15-7-8(18)14-5-3-1-2-4-6(5)17(7)9/h1-4H,(H,14,18)
InChIKeyKPGXUNLNBAAWFY-UHFFFAOYSA-N
MW254.17 g/mol
LogP1.59
Rot. Bonds

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

1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 3843652) has the molecular formula C10H5F3N4O and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID3843652
Molecular FormulaC10H5F3N4O
Molecular Weight254.17 g/mol
Exact Mass254.04
IUPAC Name1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)9-16-15-7-8(18)14-5-3-1-2-4-6(5)17(7)9/h1-4H,(H,14,18)
InChIKeyKPGXUNLNBAAWFY-UHFFFAOYSA-N
XLogP1.59
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 3843652) is 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2ccccc2n2c(C(F)(F)F)nnc12.
What is the InChIKey of 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is KPGXUNLNBAAWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O/c11-10(12,13)9-16-15-7-8(18)14-5-3-1-2-4-6(5)17(7)9/h1-4H,(H,14,18).
What are the key properties of 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 254.17 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 3843652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).