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

C13H19N5O — CID 61296862

IUPAC2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNC1CCCN(CCn2nc3ccccn3c2=O)C1
InChIInChI=1S/C13H19N5O/c14-11-4-3-6-16(10-11)8-9-18-13(19)17-7-2-1-5-12(17)15-18/h1-2,5,7,11H,3-4,6,8-10,14H2
InChIKeyHZAQLFHIOBEHCV-UHFFFAOYSA-N
MW261.33 g/mol
LogP-0.08
Rot. Bonds3

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

2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 61296862) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID61296862
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNC1CCCN(CCn2nc3ccccn3c2=O)C1
InChIInChI=1S/C13H19N5O/c14-11-4-3-6-16(10-11)8-9-18-13(19)17-7-2-1-5-12(17)15-18/h1-2,5,7,11H,3-4,6,8-10,14H2
InChIKeyHZAQLFHIOBEHCV-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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 61296862) is 2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is NC1CCCN(CCn2nc3ccccn3c2=O)C1.
What is the InChIKey of 2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is HZAQLFHIOBEHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c14-11-4-3-6-16(10-11)8-9-18-13(19)17-7-2-1-5-12(17)15-18/h1-2,5,7,11H,3-4,6,8-10,14H2.
What are the key properties of 2-[2-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(3-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-(3-aminopiperidin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 61296862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).