2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H16N4O — CID 17422932

IUPAC2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CN2CCCCC2)nc2ccccn12
InChIInChI=1S/C12H16N4O/c17-12-15-9-5-2-6-11(15)13-16(12)10-14-7-3-1-4-8-14/h2,5-6,9H,1,3-4,7-8,10H2
InChIKeyYBUIMQWNVJLPCJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.94
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 17422932) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID17422932
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CN2CCCCC2)nc2ccccn12
InChIInChI=1S/C12H16N4O/c17-12-15-9-5-2-6-11(15)13-16(12)10-14-7-3-1-4-8-14/h2,5-6,9H,1,3-4,7-8,10H2
InChIKeyYBUIMQWNVJLPCJ-UHFFFAOYSA-N
XLogP0.94
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 17422932) is 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CN2CCCCC2)nc2ccccn12.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YBUIMQWNVJLPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12-15-9-5-2-6-11(15)13-16(12)10-14-7-3-1-4-8-14/h2,5-6,9H,1,3-4,7-8,10H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 232.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 17422932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).