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

C14H13N3O — CID 117256976

IUPAC3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccccc1OCc1nnc2ccccn12
InChIInChI=1S/C14H13N3O/c1-11-6-2-3-7-12(11)18-10-14-16-15-13-8-4-5-9-17(13)14/h2-9H,10H2,1H3
InChIKeyIIXMBBFJMUEOJJ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds3

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

3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117256976) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117256976
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccccc1OCc1nnc2ccccn12
InChIInChI=1S/C14H13N3O/c1-11-6-2-3-7-12(11)18-10-14-16-15-13-8-4-5-9-17(13)14/h2-9H,10H2,1H3
InChIKeyIIXMBBFJMUEOJJ-UHFFFAOYSA-N
XLogP2.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257259
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
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenol
CID 117257025
2-(2,6-dimethylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848457
2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 6952051
2-[(7-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]phenol
CID 117257264
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
3-prop-2-enyl-[1,2,4]triazolo[4,3-a]pyridine
CID 68903381
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 91210925
3-[(2-methylphenoxy)methyl]-4-phenyl-5-propan-2-ylsulfanyl-1,2,4-triazole
CID 865814
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117256976) is 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccccc1OCc1nnc2ccccn12.
What is the InChIKey of 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IIXMBBFJMUEOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-11-6-2-3-7-12(11)18-10-14-16-15-13-8-4-5-9-17(13)14/h2-9H,10H2,1H3.
What are the key properties of 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 239.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117256976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).