2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C11H14N4O3 — CID 112737194

About 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 112737194) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
• PubChem CID: 112737194
• Molecular Formula: C11H14N4O3
• Molecular Weight: 250.26 g/mol
• Exact Mass: 250.11
• IUPAC Name: 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
• SMILES: O=c1n(CCN2CC(O)CO2)nc2ccccn12
• InChI: InChI=1S/C11H14N4O3/c16-9-7-13(18-8-9)5-6-15-11(17)14-4-2-1-3-10(14)12-15/h1-4,9,16H,5-8H2
• InChIKey: ZRAHGJLQJAXUOF-UHFFFAOYSA-N
• XLogP: -0.90
• TPSA: 72.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.26
LogP ≤ 5	-0.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The IUPAC name of 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 112737194) is 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

What is the SMILES notation for 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The canonical SMILES for 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCN2CC(O)CO2)nc2ccccn12.

What is the InChIKey of 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?

The InChIKey is ZRAHGJLQJAXUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c16-9-7-13(18-8-9)5-6-15-11(17)14-4-2-1-3-10(14)12-15/h1-4,9,16H,5-8H2.

What are the key properties of 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?

2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 250.26 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 112737194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).