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

C15H23N5O — CID 60806451

IUPAC2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCN(CCn1nc2ccccn2c1=O)C1CCNCC1
InChIInChI=1S/C15H23N5O/c1-2-18(13-6-8-16-9-7-13)11-12-20-15(21)19-10-4-3-5-14(19)17-20/h3-5,10,13,16H,2,6-9,11-12H2,1H3
InChIKeyPYLFOSSLWKHGJS-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.57
Rot. Bonds5

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

2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 60806451) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID60806451
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCN(CCn1nc2ccccn2c1=O)C1CCNCC1
InChIInChI=1S/C15H23N5O/c1-2-18(13-6-8-16-9-7-13)11-12-20-15(21)19-10-4-3-5-14(19)17-20/h3-5,10,13,16H,2,6-9,11-12H2,1H3
InChIKeyPYLFOSSLWKHGJS-UHFFFAOYSA-N
XLogP0.57
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 60806451) is 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCN(CCn1nc2ccccn2c1=O)C1CCNCC1.
What is the InChIKey of 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is PYLFOSSLWKHGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-18(13-6-8-16-9-7-13)11-12-20-15(21)19-10-4-3-5-14(19)17-20/h3-5,10,13,16H,2,6-9,11-12H2,1H3.
What are the key properties of 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 289.38 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 60806451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).