3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C11H13N3O2 — CID 58074730

IUPAC3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C11H13N3O2/c1-11(2,3)10-13-12-8-7(9(15)16)5-4-6-14(8)10/h4-6H,1-3H3,(H,15,16)
InChIKeyALXCAJPAPVNTBF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.73
Rot. Bonds1

About 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 58074730) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID58074730
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nnc2c(C(=O)O)cccn12
InChIInChI=1S/C11H13N3O2/c1-11(2,3)10-13-12-8-7(9(15)16)5-4-6-14(8)10/h4-6H,1-3H3,(H,15,16)
InChIKeyALXCAJPAPVNTBF-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

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Related Compounds

2-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)acetic acid
CID 83866558
3-tert-butyl-8-chloro-[1,2,4]triazolo[4,3-a]pyridine
CID 15754777
3-amino-2-tert-butylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355911
3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145572
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
1-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanamine
CID 83866552
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147796
3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 28814025
2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565546
3-(1-ethylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147556
3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117147521
3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 82058940

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 58074730) is 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is CC(C)(C)c1nnc2c(C(=O)O)cccn12.
What is the InChIKey of 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is ALXCAJPAPVNTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,3)10-13-12-8-7(9(15)16)5-4-6-14(8)10/h4-6H,1-3H3,(H,15,16).
What are the key properties of 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-tert-butyl-[1,2,4]triazolo[4,3-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 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 58074730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).