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

C14H21N5O — CID 43607130

IUPAC2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCn1nc2ccccn2c1=O)C1CCNCC1
InChIInChI=1S/C14H21N5O/c1-17(12-5-7-15-8-6-12)10-11-19-14(20)18-9-3-2-4-13(18)16-19/h2-4,9,12,15H,5-8,10-11H2,1H3
InChIKeyAZRRARAENBWPMZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.18
Rot. Bonds4

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

2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43607130) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43607130
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCn1nc2ccccn2c1=O)C1CCNCC1
InChIInChI=1S/C14H21N5O/c1-17(12-5-7-15-8-6-12)10-11-19-14(20)18-9-3-2-4-13(18)16-19/h2-4,9,12,15H,5-8,10-11H2,1H3
InChIKeyAZRRARAENBWPMZ-UHFFFAOYSA-N
XLogP0.18
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43607130) is 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN(CCn1nc2ccccn2c1=O)C1CCNCC1.
What is the InChIKey of 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is AZRRARAENBWPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17(12-5-7-15-8-6-12)10-11-19-14(20)18-9-3-2-4-13(18)16-19/h2-4,9,12,15H,5-8,10-11H2,1H3.
What are the key properties of 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 275.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(piperidin-4-yl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43607130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).