2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C11H13N3O2 — CID 82565546

IUPAC2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nc2c(C(=O)O)cccn2n1
InChIInChI=1S/C11H13N3O2/c1-11(2,3)10-12-8-7(9(15)16)5-4-6-14(8)13-10/h4-6H,1-3H3,(H,15,16)
InChIKeyFPAGSVBUGLIOFF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.73
Rot. Bonds1

About 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565546) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82565546
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nc2c(C(=O)O)cccn2n1
InChIInChI=1S/C11H13N3O2/c1-11(2,3)10-12-8-7(9(15)16)5-4-6-14(8)13-10/h4-6H,1-3H3,(H,15,16)
InChIKeyFPAGSVBUGLIOFF-UHFFFAOYSA-N
XLogP1.73
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-[1,2,4]triazolo[1,5-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

2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
2-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117136518
3-amino-2-tert-butylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355911
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117135997
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074730
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733
2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117137147
2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565620
2-[(2-methylphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 117258087
2-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 58074713

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565546) is 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is CC(C)(C)c1nc2c(C(=O)O)cccn2n1.
What is the InChIKey of 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is FPAGSVBUGLIOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,3)10-12-8-7(9(15)16)5-4-6-14(8)13-10/h4-6H,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).