3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C11H11N3O2 — CID 83640668

IUPAC3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCC3)nnc2c1
InChIInChI=1S/C11H11N3O2/c15-11(16)8-4-5-14-9(6-8)12-13-10(14)7-2-1-3-7/h4-7H,1-3H2,(H,15,16)
InChIKeyNGIYDYRVHOZGLP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.70
Rot. Bonds2

About 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 83640668) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID83640668
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCC3)nnc2c1
InChIInChI=1S/C11H11N3O2/c15-11(16)8-4-5-14-9(6-8)12-13-10(14)7-2-1-3-7/h4-7H,1-3H2,(H,15,16)
InChIKeyNGIYDYRVHOZGLP-UHFFFAOYSA-N
XLogP1.70
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 83640668) is 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(C3CCC3)nnc2c1.
What is the InChIKey of 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is NGIYDYRVHOZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(16)8-4-5-14-9(6-8)12-13-10(14)7-2-1-3-7/h4-7H,1-3H2,(H,15,16).
What are the key properties of 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83640668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).