2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H20N4O2 — CID 42950814

IUPAC2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CN(CCn2nc3ccccn3c2=O)CC(C)O1
InChIInChI=1S/C14H20N4O2/c1-11-9-16(10-12(2)20-11)7-8-18-14(19)17-6-4-3-5-13(17)15-18/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMIZSNFZUYBRNCE-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.61
Rot. Bonds3

About 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 42950814) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID42950814
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CN(CCn2nc3ccccn3c2=O)CC(C)O1
InChIInChI=1S/C14H20N4O2/c1-11-9-16(10-12(2)20-11)7-8-18-14(19)17-6-4-3-5-13(17)15-18/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMIZSNFZUYBRNCE-UHFFFAOYSA-N
XLogP0.61
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 42950814) is 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC1CN(CCn2nc3ccccn3c2=O)CC(C)O1.
What is the InChIKey of 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is MIZSNFZUYBRNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11-9-16(10-12(2)20-11)7-8-18-14(19)17-6-4-3-5-13(17)15-18/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 42950814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).