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

C14H13N3O2 — CID 117257007

IUPAC3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(OCc2nnc3ccccn23)c1
InChIInChI=1S/C14H13N3O2/c1-18-11-5-4-6-12(9-11)19-10-14-16-15-13-7-2-3-8-17(13)14/h2-9H,10H2,1H3
InChIKeyQXMJYELZZRXVFX-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.32
Rot. Bonds4

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

3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117257007) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117257007
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(OCc2nnc3ccccn23)c1
InChIInChI=1S/C14H13N3O2/c1-18-11-5-4-6-12(9-11)19-10-14-16-15-13-7-2-3-8-17(13)14/h2-9H,10H2,1H3
InChIKeyQXMJYELZZRXVFX-UHFFFAOYSA-N
XLogP2.32
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117256973
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
CID 117257025
3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117256976
methyl 3-[(3-hydroxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257343
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111016574
3-phenylmethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 78810194
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
1-ethyl-2-[(3-phenylmethoxyphenyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111013046
[2-(3-methoxyphenoxy)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478666
5-chloro-2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117255753
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 4730548

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117257007) is 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(OCc2nnc3ccccn23)c1.
What is the InChIKey of 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QXMJYELZZRXVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-11-5-4-6-12(9-11)19-10-14-16-15-13-7-2-3-8-17(13)14/h2-9H,10H2,1H3.
What are the key properties of 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 255.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117257007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).