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

C16H13N5O2S — CID 2463201

IUPAC4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CSc2nnc3ccccn23)c2ccccc2N1
InChIInChI=1S/C16H13N5O2S/c22-14-9-21(12-6-2-1-5-11(12)17-14)15(23)10-24-16-19-18-13-7-3-4-8-20(13)16/h1-8H,9-10H2,(H,17,22)
InChIKeyLULBQMQTHWYRCP-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.81
Rot. Bonds3

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

4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2463201) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2463201
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)CSc2nnc3ccccn23)c2ccccc2N1
InChIInChI=1S/C16H13N5O2S/c22-14-9-21(12-6-2-1-5-11(12)17-14)15(23)10-24-16-19-18-13-7-3-4-8-20(13)16/h1-8H,9-10H2,(H,17,22)
InChIKeyLULBQMQTHWYRCP-UHFFFAOYSA-N
XLogP1.81
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one (CID 2463201) is 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)CSc2nnc3ccccn23)c2ccccc2N1.
What is the InChIKey of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is LULBQMQTHWYRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c22-14-9-21(12-6-2-1-5-11(12)17-14)15(23)10-24-16-19-18-13-7-3-4-8-20(13)16/h1-8H,9-10H2,(H,17,22).
What are the key properties of 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 339.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2463201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).