1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

C14H11N3OS — CID 977187

IUPAC1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
SMILESO=C(CSc1nnc2ccccn12)c1ccccc1
InChIInChI=1S/C14H11N3OS/c18-12(11-6-2-1-3-7-11)10-19-14-16-15-13-8-4-5-9-17(13)14/h1-9H,10H2
InChIKeySJTGXXJHHAEOCA-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.70
Rot. Bonds4

About 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (PubChem CID 977187) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
PubChem CID977187
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
SMILESO=C(CSc1nnc2ccccn12)c1ccccc1
InChIInChI=1S/C14H11N3OS/c18-12(11-6-2-1-3-7-11)10-19-14-16-15-13-8-4-5-9-17(13)14/h1-9H,10H2
InChIKeySJTGXXJHHAEOCA-UHFFFAOYSA-N
XLogP2.70
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The IUPAC name of 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone (CID 977187) is 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.
What is the SMILES notation for 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The canonical SMILES for 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is O=C(CSc1nnc2ccccn12)c1ccccc1.
What is the InChIKey of 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
The InChIKey is SJTGXXJHHAEOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-12(11-6-2-1-3-7-11)10-19-14-16-15-13-8-4-5-9-17(13)14/h1-9H,10H2.
What are the key properties of 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone?
1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone has a molecular weight of 269.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone is sourced from PubChem (CID 977187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).