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

C14H20N4O — CID 117141459

IUPAC3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCCN1CCC(Cc2n[nH]c3cccc(=O)n23)CC1
InChIInChI=1S/C14H20N4O/c1-2-17-8-6-11(7-9-17)10-13-16-15-12-4-3-5-14(19)18(12)13/h3-5,11,15H,2,6-10H2,1H3
InChIKeyXNMJKAHXKKDCBR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.30
Rot. Bonds3

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

3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (PubChem CID 117141459) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
PubChem CID117141459
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
SMILESCCN1CCC(Cc2n[nH]c3cccc(=O)n23)CC1
InChIInChI=1S/C14H20N4O/c1-2-17-8-6-11(7-9-17)10-13-16-15-12-4-3-5-14(19)18(12)13/h3-5,11,15H,2,6-10H2,1H3
InChIKeyXNMJKAHXKKDCBR-UHFFFAOYSA-N
XLogP1.30
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one (CID 117141459) is 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is CCN1CCC(Cc2n[nH]c3cccc(=O)n23)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
The InChIKey is XNMJKAHXKKDCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-17-8-6-11(7-9-17)10-13-16-15-12-4-3-5-14(19)18(12)13/h3-5,11,15H,2,6-10H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one?
3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one has a molecular weight of 260.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one is sourced from PubChem (CID 117141459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).