6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H15F3N4O2S — CID 121260933

IUPAC6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc2nc(NCc3cccc(C(F)(F)F)c3)nn2c1
InChIInChI=1S/C20H15F3N4O2S/c21-20(22,23)15-6-4-5-14(11-15)12-24-19-25-18-10-9-17(13-27(18)26-19)30(28,29)16-7-2-1-3-8-16/h1-11,13H,12H2,(H,24,26)
InChIKeyFAPZYMJJSHLCGX-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.19
Rot. Bonds5

About 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 121260933) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID121260933
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC Name6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc2nc(NCc3cccc(C(F)(F)F)c3)nn2c1
InChIInChI=1S/C20H15F3N4O2S/c21-20(22,23)15-6-4-5-14(11-15)12-24-19-25-18-10-9-17(13-27(18)26-19)30(28,29)16-7-2-1-3-8-16/h1-11,13H,12H2,(H,24,26)
InChIKeyFAPZYMJJSHLCGX-UHFFFAOYSA-N
XLogP4.19
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 121260933) is 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is O=S(=O)(c1ccccc1)c1ccc2nc(NCc3cccc(C(F)(F)F)c3)nn2c1.
What is the InChIKey of 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FAPZYMJJSHLCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c21-20(22,23)15-6-4-5-14(11-15)12-24-19-25-18-10-9-17(13-27(18)26-19)30(28,29)16-7-2-1-3-8-16/h1-11,13H,12H2,(H,24,26).
What are the key properties of 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 432.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 121260933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).