3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

C8H9N3O — CID 117142127

IUPAC3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCCc1n[nH]c2cccc(=O)n12
InChIInChI=1S/C8H9N3O/c1-2-6-9-10-7-4-3-5-8(12)11(6)7/h3-5,10H,2H2,1H3
InChIKeyXHFKMOYVQQINCD-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.58
Rot. Bonds1

About 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (PubChem CID 117142127) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.

Molecular Properties

Compound Name3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
PubChem CID117142127
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCCc1n[nH]c2cccc(=O)n12
InChIInChI=1S/C8H9N3O/c1-2-6-9-10-7-4-3-5-8(12)11(6)7/h3-5,10H,2H2,1H3
InChIKeyXHFKMOYVQQINCD-UHFFFAOYSA-N
XLogP0.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The IUPAC name of 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (CID 117142127) is 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.
What is the SMILES notation for 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The canonical SMILES for 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is CCc1n[nH]c2cccc(=O)n12.
What is the InChIKey of 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The InChIKey is XHFKMOYVQQINCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-6-9-10-7-4-3-5-8(12)11(6)7/h3-5,10H,2H2,1H3.
What are the key properties of 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one has a molecular weight of 163.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is sourced from PubChem (CID 117142127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).