1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

C8H7N3O — CID 83873004

IUPAC1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCC(=O)c1ccn2ncnc2c1
InChIInChI=1S/C8H7N3O/c1-6(12)7-2-3-11-8(4-7)9-5-10-11/h2-5H,1H3
InChIKeyUMSXFGGLEJPZLA-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.93
Rot. Bonds1

About 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone

1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (PubChem CID 83873004) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
PubChem CID83873004
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
SMILESCC(=O)c1ccn2ncnc2c1
InChIInChI=1S/C8H7N3O/c1-6(12)7-2-3-11-8(4-7)9-5-10-11/h2-5H,1H3
InChIKeyUMSXFGGLEJPZLA-UHFFFAOYSA-N
XLogP0.93
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone (CID 83873004) is 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is CC(=O)c1ccn2ncnc2c1.
What is the InChIKey of 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
The InChIKey is UMSXFGGLEJPZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6(12)7-2-3-11-8(4-7)9-5-10-11/h2-5H,1H3.
What are the key properties of 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone?
1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone has a molecular weight of 161.16 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 83873004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).