3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

C11H11N3O3 — CID 117145049

IUPAC3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCCO3)nnc2c1
InChIInChI=1S/C11H11N3O3/c15-11(16)7-3-4-14-9(6-7)12-13-10(14)8-2-1-5-17-8/h3-4,6,8H,1-2,5H2,(H,15,16)
InChIKeyGFODCMNXXSJETK-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.28
Rot. Bonds2

About 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid

3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 117145049) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID117145049
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(C3CCCO3)nnc2c1
InChIInChI=1S/C11H11N3O3/c15-11(16)7-3-4-14-9(6-7)12-13-10(14)8-2-1-5-17-8/h3-4,6,8H,1-2,5H2,(H,15,16)
InChIKeyGFODCMNXXSJETK-UHFFFAOYSA-N
XLogP1.28
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83640668
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117144958
2-(oxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134338
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142582
6-bromo-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139057
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
CID 83886634
6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139131
3-[(cyclopentylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117257305
6-methyl-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139128
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83641424
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145011

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 117145049) is 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(C3CCCO3)nnc2c1.
What is the InChIKey of 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is GFODCMNXXSJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-11(16)7-3-4-14-9(6-7)12-13-10(14)8-2-1-5-17-8/h3-4,6,8H,1-2,5H2,(H,15,16).
What are the key properties of 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117145049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).