3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

C12H16N4O — CID 117141326

IUPAC3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCN1CCC(c2n[nH]c3cccc(=O)n23)CC1
InChIInChI=1S/C12H16N4O/c1-15-7-5-9(6-8-15)12-14-13-10-3-2-4-11(17)16(10)12/h2-4,9,13H,5-8H2,1H3
InChIKeyVLXYFCTWOAJFAO-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.83
Rot. Bonds1

About 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one

3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (PubChem CID 117141326) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
PubChem CID117141326
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCN1CCC(c2n[nH]c3cccc(=O)n23)CC1
InChIInChI=1S/C12H16N4O/c1-15-7-5-9(6-8-15)12-14-13-10-3-2-4-11(17)16(10)12/h2-4,9,13H,5-8H2,1H3
InChIKeyVLXYFCTWOAJFAO-UHFFFAOYSA-N
XLogP0.83
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (CID 117141326) is 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is CN1CCC(c2n[nH]c3cccc(=O)n23)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The InChIKey is VLXYFCTWOAJFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-15-7-5-9(6-8-15)12-14-13-10-3-2-4-11(17)16(10)12/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one has a molecular weight of 232.29 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is sourced from PubChem (CID 117141326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).