2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid

C11H13N3O2S — CID 83038187

IUPAC2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
SMILESCCCC(Sc1nnc2ccccn12)C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-2-5-8(10(15)16)17-11-13-12-9-6-3-4-7-14(9)11/h3-4,6-8H,2,5H2,1H3,(H,15,16)
InChIKeyZKGOHLDKHOXNLX-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.07
Rot. Bonds5

About 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid

2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid (PubChem CID 83038187) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
PubChem CID83038187
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
SMILESCCCC(Sc1nnc2ccccn12)C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-2-5-8(10(15)16)17-11-13-12-9-6-3-4-7-14(9)11/h3-4,6-8H,2,5H2,1H3,(H,15,16)
InChIKeyZKGOHLDKHOXNLX-UHFFFAOYSA-N
XLogP2.07
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 103224283
4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 55126924
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
N-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)heptan-4-amine
CID 64633370
2-ethoxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 63099315
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
ethyl 3-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoate
CID 60626192
2-[(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]butanoic acid
CID 82024659
N-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-amine
CID 64632580
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid (CID 83038187) is 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid is CCCC(Sc1nnc2ccccn12)C(=O)O.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The InChIKey is ZKGOHLDKHOXNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-5-8(10(15)16)17-11-13-12-9-6-3-4-7-14(9)11/h3-4,6-8H,2,5H2,1H3,(H,15,16).
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid has a molecular weight of 251.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 83038187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).