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

C9H11N3O2 — CID 43509745

IUPAC2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCO)nc2ccccn12
InChIInChI=1S/C9H11N3O2/c13-7-3-6-12-9(14)11-5-2-1-4-8(11)10-12/h1-2,4-5,13H,3,6-7H2
InChIKeyXOVDGSIREHLHLB-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.12
Rot. Bonds3

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

2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43509745) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43509745
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCO)nc2ccccn12
InChIInChI=1S/C9H11N3O2/c13-7-3-6-12-9(14)11-5-2-1-4-8(11)10-12/h1-2,4-5,13H,3,6-7H2
InChIKeyXOVDGSIREHLHLB-UHFFFAOYSA-N
XLogP-0.12
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43509745) is 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCCO)nc2ccccn12.
What is the InChIKey of 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is XOVDGSIREHLHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-7-3-6-12-9(14)11-5-2-1-4-8(11)10-12/h1-2,4-5,13H,3,6-7H2.
What are the key properties of 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 193.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43509745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).