3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid

C9H9N3O2 — CID 83829662

IUPAC3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid
SMILESO=C(O)CCc1cccn2ncnc12
InChIInChI=1S/C9H9N3O2/c13-8(14)4-3-7-2-1-5-12-9(7)10-6-11-12/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyYALPXQAUBXNDQT-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.75
Rot. Bonds3

About 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid

3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid (PubChem CID 83829662) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid
PubChem CID83829662
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid
SMILESO=C(O)CCc1cccn2ncnc12
InChIInChI=1S/C9H9N3O2/c13-8(14)4-3-7-2-1-5-12-9(7)10-6-11-12/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyYALPXQAUBXNDQT-UHFFFAOYSA-N
XLogP0.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-([1,2,4]triazolo[1,5-a]pyridin-8-yl)acetic acid
CID 82599293
3-(1-chloroimidazo[1,5-a]pyridin-8-yl)propanoic acid
CID 83891971
3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
CID 134129731
3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82527174
3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 84772253
3-(2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82527096
[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565691
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-[2-(2-sulfanylethyl)phenyl]propanoic acid
CID 130239903
3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420
3-quinolin-5-ylpropanoic acid
CID 81224223
[1,2,4]triazolo[1,5-a]pyrazine-8-carboxylic acid
CID 84651764

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid?
The IUPAC name of 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid (CID 83829662) is 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid.
What is the SMILES notation for 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid?
The canonical SMILES for 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid is O=C(O)CCc1cccn2ncnc12.
What is the InChIKey of 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid?
The InChIKey is YALPXQAUBXNDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-8(14)4-3-7-2-1-5-12-9(7)10-6-11-12/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid?
3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid has a molecular weight of 191.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propanoic acid is sourced from PubChem (CID 83829662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).