2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

C10H11N3O2 — CID 117131019

IUPAC2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nc(CCCO)nn12
InChIInChI=1S/C10H11N3O2/c14-6-2-4-9-11-10-5-1-3-8(7-15)13(10)12-9/h1,3,5,7,14H,2,4,6H2
InChIKeyWEGKXLGECMXDGO-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.47
Rot. Bonds4

About 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117131019) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117131019
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2nc(CCCO)nn12
InChIInChI=1S/C10H11N3O2/c14-6-2-4-9-11-10-5-1-3-8(7-15)13(10)12-9/h1,3,5,7,14H,2,4,6H2
InChIKeyWEGKXLGECMXDGO-UHFFFAOYSA-N
XLogP0.47
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde (CID 117131019) is 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2nc(CCCO)nn12.
What is the InChIKey of 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is WEGKXLGECMXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-6-2-4-9-11-10-5-1-3-8(7-15)13(10)12-9/h1,3,5,7,14H,2,4,6H2.
What are the key properties of 2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde?
2-(3-hydroxypropyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 205.22 g/mol, XLogP of 0.47, 4 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[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117131019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).