2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide

C9H6F3N5O2 — CID 36580554

IUPAC2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc[nH]c1=O
InChIInChI=1S/C9H6F3N5O2/c10-9(11,12)7-15-8(17-16-7)14-6(19)4-2-1-3-13-5(4)18/h1-3H,(H,13,18)(H2,14,15,16,17,19)
InChIKeyANBVXLYLDOXLJG-UHFFFAOYSA-N
MW273.17 g/mol
LogP0.76
Rot. Bonds2

About 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide

2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide (PubChem CID 36580554) has the molecular formula C9H6F3N5O2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide
PubChem CID36580554
Molecular FormulaC9H6F3N5O2
Molecular Weight273.17 g/mol
Exact Mass273.05
IUPAC Name2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc[nH]c1=O
InChIInChI=1S/C9H6F3N5O2/c10-9(11,12)7-15-8(17-16-7)14-6(19)4-2-1-3-13-5(4)18/h1-3H,(H,13,18)(H2,14,15,16,17,19)
InChIKeyANBVXLYLDOXLJG-UHFFFAOYSA-N
XLogP0.76
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-4-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 33504211
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 78927926
3-(2-oxo-1-pyridinyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 87012907
1,6-dimethyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-3-carboxamide
CID 119062845
1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 133924657
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 133924676
N-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 154781924
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
5-[3-(2,2,2-trifluoroethylamino)-1H-1,2,4-triazol-5-yl]-1H-pyridin-2-one
CID 167986412
N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 171679212
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-oxopyridine-4-carboxamide
CID 171679266

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide (CID 36580554) is 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide?
The InChIKey is ANBVXLYLDOXLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5O2/c10-9(11,12)7-15-8(17-16-7)14-6(19)4-2-1-3-13-5(4)18/h1-3H,(H,13,18)(H2,14,15,16,17,19).
What are the key properties of 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide?
2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide has a molecular weight of 273.17 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 36580554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).