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

C14H10F3N3O — CID 117141921

IUPAC3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESO=c1cccc2[nH]nc(Cc3cccc(C(F)(F)F)c3)n12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)10-4-1-3-9(7-10)8-12-19-18-11-5-2-6-13(21)20(11)12/h1-7,18H,8H2
InChIKeyWOXFOTYBQKGFFE-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.63
Rot. Bonds2

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

3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (PubChem CID 117141921) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
PubChem CID117141921
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESO=c1cccc2[nH]nc(Cc3cccc(C(F)(F)F)c3)n12
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)10-4-1-3-9(7-10)8-12-19-18-11-5-2-6-13(21)20(11)12/h1-7,18H,8H2
InChIKeyWOXFOTYBQKGFFE-UHFFFAOYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 178069330
6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridin-2-one
CID 154239731
[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol
CID 115092939
3-ethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 123448222
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridin-6-amine
CID 117139496
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
5-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2-dihydropyrazol-3-one
CID 141273226
3-[[3-(trifluoromethyl)phenyl]methyl]cyclohept-2-en-1-one
CID 107382752
2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazo[1,2-a]pyridin-5-one
CID 117132815
5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde
CID 157346650

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (CID 117141921) is 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is O=c1cccc2[nH]nc(Cc3cccc(C(F)(F)F)c3)n12.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The InChIKey is WOXFOTYBQKGFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)10-4-1-3-9(7-10)8-12-19-18-11-5-2-6-13(21)20(11)12/h1-7,18H,8H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one has a molecular weight of 293.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is sourced from PubChem (CID 117141921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).