2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H8N4OS — CID 116618638

IUPAC2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2cncs2)nc2ccccn12
InChIInChI=1S/C10H8N4OS/c15-10-13-4-2-1-3-9(13)12-14(10)6-8-5-11-7-16-8/h1-5,7H,6H2
InChIKeyDHEYMYKOXKFFAF-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.00
Rot. Bonds2

About 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 116618638) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID116618638
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(Cc2cncs2)nc2ccccn12
InChIInChI=1S/C10H8N4OS/c15-10-13-4-2-1-3-9(13)12-14(10)6-8-5-11-7-16-8/h1-5,7H,6H2
InChIKeyDHEYMYKOXKFFAF-UHFFFAOYSA-N
XLogP1.00
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 116618638) is 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(Cc2cncs2)nc2ccccn12.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DHEYMYKOXKFFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c15-10-13-4-2-1-3-9(13)12-14(10)6-8-5-11-7-16-8/h1-5,7H,6H2.
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 232.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 116618638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).