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

C11H11N3O3 — CID 117142582

IUPAC3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nnc(C3CCCO3)n12
InChIInChI=1S/C11H11N3O3/c15-11(16)7-3-1-5-9-12-13-10(14(7)9)8-4-2-6-17-8/h1,3,5,8H,2,4,6H2,(H,15,16)
InChIKeyYHHCQMWNITZGGL-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.28
Rot. Bonds2

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

3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (PubChem CID 117142582) 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-5-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
PubChem CID117142582
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nnc(C3CCCO3)n12
InChIInChI=1S/C11H11N3O3/c15-11(16)7-3-1-5-9-12-13-10(14(7)9)8-4-2-6-17-8/h1,3,5,8H,2,4,6H2,(H,15,16)
InChIKeyYHHCQMWNITZGGL-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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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid (CID 117142582) is 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nnc(C3CCCO3)n12.
What is the InChIKey of 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
The InChIKey is YHHCQMWNITZGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-11(16)7-3-1-5-9-12-13-10(14(7)9)8-4-2-6-17-8/h1,3,5,8H,2,4,6H2,(H,15,16).
What are the key properties of 3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid?
3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-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-5-carboxylic acid is sourced from PubChem (CID 117142582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).