5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one

C8H5F3N4O — CID 167938220

IUPAC5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2n[nH]c(C(F)(F)F)n2)c[nH]1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7-13-6(14-15-7)4-1-2-5(16)12-3-4/h1-3H,(H,12,16)(H,13,14,15)
InChIKeyLYSSZDJAPAKANQ-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.18
Rot. Bonds1

About 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one

5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one (PubChem CID 167938220) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
PubChem CID167938220
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC Name5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2n[nH]c(C(F)(F)F)n2)c[nH]1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7-13-6(14-15-7)4-1-2-5(16)12-3-4/h1-3H,(H,12,16)(H,13,14,15)
InChIKeyLYSSZDJAPAKANQ-UHFFFAOYSA-N
XLogP1.18
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36580536
1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2(1H)-one
CID 50950306
6-methyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-4-carboxamide
CID 124206420
1-methyl-6-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,6-dihydropyridine-3-carboxamide
CID 124214118
1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 133924657
4-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167743960
4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 167779393
3-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridazin-6-one
CID 167902468
5-[3-(2,2-difluoroethylamino)-1H-1,2,4-triazol-5-yl]-1-methylpyridin-2-one
CID 167934453
4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167955856
5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167986412
1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
CID 141127086

Frequently Asked Questions

What is the IUPAC name of 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one (CID 167938220) is 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one is O=c1ccc(-c2n[nH]c(C(F)(F)F)n2)c[nH]1.
What is the InChIKey of 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
The InChIKey is LYSSZDJAPAKANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)7-13-6(14-15-7)4-1-2-5(16)12-3-4/h1-3H,(H,12,16)(H,13,14,15).
What are the key properties of 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one?
5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one has a molecular weight of 230.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 167938220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).