5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide

C15H15F3N6O2S — CID 44621449

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1)C(F)(F)F
InChIInChI=1S/C15H15F3N6O2S/c1-14(2,15(16,17)18)23-27(25,26)11-5-10(7-20-8-11)9-3-4-24-12(6-9)21-13(19)22-24/h3-8,23H,1-2H3,(H2,19,22)
InChIKeyQEHDGYWAXQTRQU-UHFFFAOYSA-N
MW400.39 g/mol
LogP1.99
Rot. Bonds4

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 44621449) has the molecular formula C15H15F3N6O2S and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID44621449
Molecular FormulaC15H15F3N6O2S
Molecular Weight400.39 g/mol
Exact Mass400.09
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1)C(F)(F)F
InChIInChI=1S/C15H15F3N6O2S/c1-14(2,15(16,17)18)23-27(25,26)11-5-10(7-20-8-11)9-3-4-24-12(6-9)21-13(19)22-24/h3-8,23H,1-2H3,(H2,19,22)
InChIKeyQEHDGYWAXQTRQU-UHFFFAOYSA-N
XLogP1.99
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide (CID 44621449) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide is CC(C)(NS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1)C(F)(F)F.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is QEHDGYWAXQTRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2S/c1-14(2,15(16,17)18)23-27(25,26)11-5-10(7-20-8-11)9-3-4-24-12(6-9)21-13(19)22-24/h3-8,23H,1-2H3,(H2,19,22).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 400.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 44621449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).