2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one

C15H13F3N4O3S — CID 131964098

IUPAC2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cc(=O)n2n1C
InChIInChI=1S/C15H13F3N4O3S/c1-3-26(24,25)10-5-4-6-19-13(10)14-20-11-7-9(15(16,17)18)8-12(23)22(11)21(14)2/h4-8H,3H2,1-2H3
InChIKeyYUGXJEBAGYZOIT-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.91
Rot. Bonds3

About 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one

2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 131964098) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID131964098
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC Name2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cc(=O)n2n1C
InChIInChI=1S/C15H13F3N4O3S/c1-3-26(24,25)10-5-4-6-19-13(10)14-20-11-7-9(15(16,17)18)8-12(23)22(11)21(14)2/h4-8H,3H2,1-2H3
InChIKeyYUGXJEBAGYZOIT-UHFFFAOYSA-N
XLogP1.91
TPSA86.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 131964098) is 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCS(=O)(=O)c1cccnc1-c1nc2cc(C(F)(F)F)cc(=O)n2n1C.
What is the InChIKey of 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is YUGXJEBAGYZOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-3-26(24,25)10-5-4-6-19-13(10)14-20-11-7-9(15(16,17)18)8-12(23)22(11)21(14)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 386.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-2-pyridinyl)-3-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 131964098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).