(5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one

C10H8N4OS — CID 125461913

IUPAC(5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one
SMILESN[C@H]1C=CC(=O)c2nc(-c3cccs3)nn21
InChIInChI=1S/C10H8N4OS/c11-8-4-3-6(15)10-12-9(13-14(8)10)7-2-1-5-16-7/h1-5,8H,11H2/t8-/m1/s1
InChIKeySTIUERFTKFYCML-MRVPVSSYSA-N
MW232.27 g/mol
LogP1.22
Rot. Bonds1

About (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one

(5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one (PubChem CID 125461913) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one.

Molecular Properties

Compound Name(5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one
PubChem CID125461913
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name(5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one
SMILESN[C@H]1C=CC(=O)c2nc(-c3cccs3)nn21
InChIInChI=1S/C10H8N4OS/c11-8-4-3-6(15)10-12-9(13-14(8)10)7-2-1-5-16-7/h1-5,8H,11H2/t8-/m1/s1
InChIKeySTIUERFTKFYCML-MRVPVSSYSA-N
XLogP1.22
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one?
The IUPAC name of (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one (CID 125461913) is (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one.
What is the SMILES notation for (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one?
The canonical SMILES for (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one is N[C@H]1C=CC(=O)c2nc(-c3cccs3)nn21.
What is the InChIKey of (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one?
The InChIKey is STIUERFTKFYCML-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-8-4-3-6(15)10-12-9(13-14(8)10)7-2-1-5-16-7/h1-5,8H,11H2/t8-/m1/s1.
What are the key properties of (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one?
(5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one has a molecular weight of 232.27 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]pyridin-8-one is sourced from PubChem (CID 125461913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).