3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C15H13N3O3 — CID 82058944

IUPAC3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCc1ccc(OCc2nnc3c(C(=O)O)cccn23)cc1
InChIInChI=1S/C15H13N3O3/c1-10-4-6-11(7-5-10)21-9-13-16-17-14-12(15(19)20)3-2-8-18(13)14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyWXJSUESAXZXHAY-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.31
Rot. Bonds4

About 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 82058944) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID82058944
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCc1ccc(OCc2nnc3c(C(=O)O)cccn23)cc1
InChIInChI=1S/C15H13N3O3/c1-10-4-6-11(7-5-10)21-9-13-16-17-14-12(15(19)20)3-2-8-18(13)14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyWXJSUESAXZXHAY-UHFFFAOYSA-N
XLogP2.31
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940
methyl 3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257483
methyl 3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117257476
3-[(cyclobutylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117257439
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 82044133
2-[[5-[(4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 1136420
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
6-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255302
methyl 2-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258105
4-[(4-methylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973523

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 82058944) is 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is Cc1ccc(OCc2nnc3c(C(=O)O)cccn23)cc1.
What is the InChIKey of 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is WXJSUESAXZXHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-4-6-11(7-5-10)21-9-13-16-17-14-12(15(19)20)3-2-8-18(13)14/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82058944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).