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

C11H13N3O2S — CID 55126924

IUPAC4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
SMILESCC(CCC(=O)O)Sc1nnc2ccccn12
InChIInChI=1S/C11H13N3O2S/c1-8(5-6-10(15)16)17-11-13-12-9-4-2-3-7-14(9)11/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyYIOHXPNAZAZVNI-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.07
Rot. Bonds5

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

4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid (PubChem CID 55126924) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
PubChem CID55126924
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
SMILESCC(CCC(=O)O)Sc1nnc2ccccn12
InChIInChI=1S/C11H13N3O2S/c1-8(5-6-10(15)16)17-11-13-12-9-4-2-3-7-14(9)11/h2-4,7-8H,5-6H2,1H3,(H,15,16)
InChIKeyYIOHXPNAZAZVNI-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-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
CID 62849275
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 83038187
N'-hydroxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 76950750
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 103224283
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propyl]pentan-3-amine
CID 62850021
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
(2S)-N-naphthalen-1-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 7558347
(2R)-N-carbamoyl-3-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanamide
CID 7888908
N-[(2R)-pentan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2434105
(2S)-N-cyclopropyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 9373317
N-phenyl-N-propan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558393

Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid (CID 55126924) is 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid is CC(CCC(=O)O)Sc1nnc2ccccn12.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
The InChIKey is YIOHXPNAZAZVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8(5-6-10(15)16)17-11-13-12-9-4-2-3-7-14(9)11/h2-4,7-8H,5-6H2,1H3,(H,15,16).
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid?
4-([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 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid is sourced from PubChem (CID 55126924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).