3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H11N3O — CID 117256973

IUPAC3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc(OCc2nnc3ccccn23)cc1
InChIInChI=1S/C13H11N3O/c1-2-6-11(7-3-1)17-10-13-15-14-12-8-4-5-9-16(12)13/h1-9H,10H2
InChIKeyBIDKDYMJPABKFQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.31
Rot. Bonds3

About 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117256973) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117256973
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc(OCc2nnc3ccccn23)cc1
InChIInChI=1S/C13H11N3O/c1-2-6-11(7-3-1)17-10-13-15-14-12-8-4-5-9-16(12)13/h1-9H,10H2
InChIKeyBIDKDYMJPABKFQ-UHFFFAOYSA-N
XLogP2.31
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
CID 117257025
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
3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
CID 626571
2-(4-phenylmethoxyphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9021061
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 91947680
3-phenylmethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 78810194
3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
CID 68903381
7-chloro-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257284
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117256973) is 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine is c1ccc(OCc2nnc3ccccn23)cc1.
What is the InChIKey of 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BIDKDYMJPABKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-6-11(7-3-1)17-10-13-15-14-12-8-4-5-9-16(12)13/h1-9H,10H2.
What are the key properties of 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 225.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117256973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).