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

C10H5F3N4O — CID 5135207

IUPAC8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n2cnnc12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)5-1-2-6-7(3-5)17-4-14-16-8(17)9(18)15-6/h1-4H,(H,15,18)
InChIKeyLPWKWAQYGPRNAE-UHFFFAOYSA-N
MW254.17 g/mol
LogP1.59
Rot. Bonds

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

8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 5135207) has the molecular formula C10H5F3N4O and a molecular weight of 254.17 g/mol. Its IUPAC name is 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID5135207
Molecular FormulaC10H5F3N4O
Molecular Weight254.17 g/mol
Exact Mass254.04
IUPAC Name8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n2cnnc12
InChIInChI=1S/C10H5F3N4O/c11-10(12,13)5-1-2-6-7(3-5)17-4-14-16-8(17)9(18)15-6/h1-4H,(H,15,18)
InChIKeyLPWKWAQYGPRNAE-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 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 5135207) is 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is O=c1[nH]c2ccc(C(F)(F)F)cc2n2cnnc12.
What is the InChIKey of 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is LPWKWAQYGPRNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4O/c11-10(12,13)5-1-2-6-7(3-5)17-4-14-16-8(17)9(18)15-6/h1-4H,(H,15,18).
What are the key properties of 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
8-(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 8-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 5135207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).