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

C10H11N3O2S — CID 62849275

IUPAC3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
SMILESCC(CC(=O)O)Sc1nnc2ccccn12
InChIInChI=1S/C10H11N3O2S/c1-7(6-9(14)15)16-10-12-11-8-4-2-3-5-13(8)10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeySNRRDMZESBMYHZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.68
Rot. Bonds4

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

3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid (PubChem CID 62849275) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid.

Molecular Properties

Compound Name3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
PubChem CID62849275
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid
SMILESCC(CC(=O)O)Sc1nnc2ccccn12
InChIInChI=1S/C10H11N3O2S/c1-7(6-9(14)15)16-10-12-11-8-4-2-3-5-13(8)10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeySNRRDMZESBMYHZ-UHFFFAOYSA-N
XLogP1.68
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 55126924
N'-hydroxy-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 76950750
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanoic acid
CID 83038187
methyl 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 60626209
ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
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
N-[(2S)-butan-2-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 8015110
N-phenyl-N-propan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558393
(2S)-N-cyclopropyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 9373317
(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

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid?
The IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid (CID 62849275) is 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid.
What is the SMILES notation for 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid?
The canonical SMILES for 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid is CC(CC(=O)O)Sc1nnc2ccccn12.
What is the InChIKey of 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid?
The InChIKey is SNRRDMZESBMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-7(6-9(14)15)16-10-12-11-8-4-2-3-5-13(8)10/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid?
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid has a molecular weight of 237.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanoic acid is sourced from PubChem (CID 62849275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).