2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C10H11N3O3S — CID 43502529

IUPAC2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(CSCCO)n1nc2ccccn2c1=O
InChIInChI=1S/C10H11N3O3S/c14-5-6-17-7-9(15)13-10(16)12-4-2-1-3-8(12)11-13/h1-4,14H,5-7H2
InChIKeyOHPMZLMPDFEUES-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.14
Rot. Bonds4

About 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43502529) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43502529
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=C(CSCCO)n1nc2ccccn2c1=O
InChIInChI=1S/C10H11N3O3S/c14-5-6-17-7-9(15)13-10(16)12-4-2-1-3-8(12)11-13/h1-4,14H,5-7H2
InChIKeyOHPMZLMPDFEUES-UHFFFAOYSA-N
XLogP-0.14
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]sulfanylpropanoic acid
CID 61145985
[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl] N'-aminocarbamimidothioate
CID 77061104
2-(2-azidoacetyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55138769
1-[2-oxo-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]triazole-4-carboxylic acid
CID 62060082
2-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79873968
2-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63264250
2-[2-(3-amino-5-methylpiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79993273
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
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
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43502529) is 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=C(CSCCO)n1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is OHPMZLMPDFEUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c14-5-6-17-7-9(15)13-10(16)12-4-2-1-3-8(12)11-13/h1-4,14H,5-7H2.
What are the key properties of 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 253.28 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylsulfanyl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43502529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).