4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol

C13H11N3O2 — CID 117257025

IUPAC4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
SMILESOc1ccc(OCc2nnc3ccccn23)cc1
InChIInChI=1S/C13H11N3O2/c17-10-4-6-11(7-5-10)18-9-13-15-14-12-3-1-2-8-16(12)13/h1-8,17H,9H2
InChIKeyRFWLCCWKUCMWPE-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.01
Rot. Bonds3

About 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol

4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol (PubChem CID 117257025) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
PubChem CID117257025
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
SMILESOc1ccc(OCc2nnc3ccccn23)cc1
InChIInChI=1S/C13H11N3O2/c17-10-4-6-11(7-5-10)18-9-13-15-14-12-3-1-2-8-16(12)13/h1-8,17H,9H2
InChIKeyRFWLCCWKUCMWPE-UHFFFAOYSA-N
XLogP2.01
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257007
3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117256976
3-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117257215
2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021061
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
7-chloro-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257284
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)propyl]phenol
CID 115493982
4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17475495
2-(4-phenylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947550
7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 84611753
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940

Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol (CID 117257025) is 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol is Oc1ccc(OCc2nnc3ccccn23)cc1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol?
The InChIKey is RFWLCCWKUCMWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-10-4-6-11(7-5-10)18-9-13-15-14-12-3-1-2-8-16(12)13/h1-8,17H,9H2.
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol?
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol has a molecular weight of 241.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol is sourced from PubChem (CID 117257025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).