2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C8H9N3O2 — CID 117131063

IUPAC2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(CCO)[nH]n12
InChIInChI=1S/C8H9N3O2/c12-5-4-6-9-7-2-1-3-8(13)11(7)10-6/h1-3,12H,4-5H2,(H,9,10)
InChIKeyUGSTVQAOQWMPJR-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.44
Rot. Bonds2

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

2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117131063) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117131063
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(CCO)[nH]n12
InChIInChI=1S/C8H9N3O2/c12-5-4-6-9-7-2-1-3-8(13)11(7)10-6/h1-3,12H,4-5H2,(H,9,10)
InChIKeyUGSTVQAOQWMPJR-UHFFFAOYSA-N
XLogP-0.44
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117131063) is 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cccc2nc(CCO)[nH]n12.
What is the InChIKey of 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is UGSTVQAOQWMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-5-4-6-9-7-2-1-3-8(13)11(7)10-6/h1-3,12H,4-5H2,(H,9,10).
What are the key properties of 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 179.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117131063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).