3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid

C15H13N3O2 — CID 117142747

IUPAC3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESCc1cccc(Cc2nnc3cccc(C(=O)O)n23)c1
InChIInChI=1S/C15H13N3O2/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15(19)20)18(13)14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyVMJDOHIGYKCNLS-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.33
Rot. Bonds3

About 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid

3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (PubChem CID 117142747) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
PubChem CID117142747
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESCc1cccc(Cc2nnc3cccc(C(=O)O)n23)c1
InChIInChI=1S/C15H13N3O2/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15(19)20)18(13)14/h2-8H,9H2,1H3,(H,19,20)
InChIKeyVMJDOHIGYKCNLS-UHFFFAOYSA-N
XLogP2.33
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-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-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142753
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141938
3-[(2-hydroxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142781
6-methyl-3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117139519
methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117257056
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146892
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62539041
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140304
3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142785
4-[(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117142098
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82223479

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (CID 117142747) is 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is Cc1cccc(Cc2nnc3cccc(C(=O)O)n23)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The InChIKey is VMJDOHIGYKCNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-4-2-5-11(8-10)9-14-17-16-13-7-3-6-12(15(19)20)18(13)14/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid has a molecular weight of 267.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117142747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).