2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H19N5O — CID 43556668

IUPAC2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNC1CCN(CCn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C13H19N5O/c14-11-4-7-16(8-5-11)9-10-18-13(19)17-6-2-1-3-12(17)15-18/h1-3,6,11H,4-5,7-10,14H2
InChIKeySHKVBEQGQXFYAY-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.08
Rot. Bonds3

About 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43556668) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43556668
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNC1CCN(CCn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C13H19N5O/c14-11-4-7-16(8-5-11)9-10-18-13(19)17-6-2-1-3-12(17)15-18/h1-3,6,11H,4-5,7-10,14H2
InChIKeySHKVBEQGQXFYAY-UHFFFAOYSA-N
XLogP-0.08
TPSA68.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-(3-Oxo-3-piperazin-1-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62543101
(2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide
CID 95275092
6-(3-Aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 70325047
2-Piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 84038333
2-Pentan-2-yl-7-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 146183895
2-(Piperidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422932
2-(2-Piperazin-1-ylethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43162332
2-(2-Aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43183764
2-(2-Amino-3,3-dimethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184388
2-[2-(1,4-Diazepan-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43340910
2-(1-Aminopentan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43428373
2-[2-(4-Aminopiperidin-1-yl)acetyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43556412

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43556668) is 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is NC1CCN(CCn2nc3ccccn3c2=O)CC1.
What is the InChIKey of 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SHKVBEQGQXFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-11-4-7-16(8-5-11)9-10-18-13(19)17-6-2-1-3-12(17)15-18/h1-3,6,11H,4-5,7-10,14H2.
What are the key properties of 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 261.33 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43556668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).