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

C11H13N3O3S — CID 43245331

IUPAC2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
SMILESCC(SCCn1nc2ccccn2c1=O)C(=O)O
InChIInChI=1S/C11H13N3O3S/c1-8(10(15)16)18-7-6-14-11(17)13-5-3-2-4-9(13)12-14/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyGLWPDPHZSYHZQO-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.70
Rot. Bonds5

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

2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid (PubChem CID 43245331) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
PubChem CID43245331
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
SMILESCC(SCCn1nc2ccccn2c1=O)C(=O)O
InChIInChI=1S/C11H13N3O3S/c1-8(10(15)16)18-7-6-14-11(17)13-5-3-2-4-9(13)12-14/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyGLWPDPHZSYHZQO-UHFFFAOYSA-N
XLogP0.70
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid with MolForge

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Related Compounds

3-methyl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]butanoic acid
CID 43468685
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051
2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118
N-[2-(methylamino)propyl]-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide;hydrochloride
CID 120828386
5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid
CID 63943173
methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
CID 60966575
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid?
The IUPAC name of 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid (CID 43245331) is 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid.
What is the SMILES notation for 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid?
The canonical SMILES for 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid is CC(SCCn1nc2ccccn2c1=O)C(=O)O.
What is the InChIKey of 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid?
The InChIKey is GLWPDPHZSYHZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-8(10(15)16)18-7-6-14-11(17)13-5-3-2-4-9(13)12-14/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid?
2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid has a molecular weight of 267.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid is sourced from PubChem (CID 43245331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).