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

C9H11N3O2 — CID 117131029

IUPAC2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(CCCO)[nH]n12
InChIInChI=1S/C9H11N3O2/c13-6-2-3-7-10-8-4-1-5-9(14)12(8)11-7/h1,4-5,13H,2-3,6H2,(H,10,11)
InChIKeyQDRSYJLWXWZKPZ-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.05
Rot. Bonds3

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

2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 117131029) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID117131029
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESO=c1cccc2nc(CCCO)[nH]n12
InChIInChI=1S/C9H11N3O2/c13-6-2-3-7-10-8-4-1-5-9(14)12(8)11-7/h1,4-5,13H,2-3,6H2,(H,10,11)
InChIKeyQDRSYJLWXWZKPZ-UHFFFAOYSA-N
XLogP-0.05
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 117131029) is 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is O=c1cccc2nc(CCCO)[nH]n12.
What is the InChIKey of 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is QDRSYJLWXWZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-6-2-3-7-10-8-4-1-5-9(14)12(8)11-7/h1,4-5,13H,2-3,6H2,(H,10,11).
What are the key properties of 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 193.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 117131029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).