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

C9H8F3N5O — CID 167986412

IUPAC5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc(NCC(F)(F)F)n[nH]2)c[nH]1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)4-14-8-15-7(16-17-8)5-1-2-6(18)13-3-5/h1-3H,4H2,(H,13,18)(H2,14,15,16,17)
InChIKeyUJRBMTYSWWVURM-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.13
Rot. Bonds3

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

5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one (PubChem CID 167986412) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
PubChem CID167986412
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc(NCC(F)(F)F)n[nH]2)c[nH]1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)4-14-8-15-7(16-17-8)5-1-2-6(18)13-3-5/h1-3H,4H2,(H,13,18)(H2,14,15,16,17)
InChIKeyUJRBMTYSWWVURM-UHFFFAOYSA-N
XLogP1.13
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one with MolForge

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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
2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide
CID 36580554
1-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2(1H)-one
CID 50950306
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
5-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridin-2-one
CID 167938220
4-[3-(4,4-difluoropiperidin-1-yl)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167955856
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-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one (CID 167986412) is 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one is O=c1ccc(-c2nc(NCC(F)(F)F)n[nH]2)c[nH]1.
What is the InChIKey of 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one?
The InChIKey is UJRBMTYSWWVURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c10-9(11,12)4-14-8-15-7(16-17-8)5-1-2-6(18)13-3-5/h1-3H,4H2,(H,13,18)(H2,14,15,16,17).
What are the key properties of 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one?
5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one has a molecular weight of 259.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 167986412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).