2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H18N4O2 — CID 59225842

IUPAC2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCN2CCOCC2)nc2ccccn12
InChIInChI=1S/C13H18N4O2/c18-13-16-6-2-1-4-12(16)14-17(13)7-3-5-15-8-10-19-11-9-15/h1-2,4,6H,3,5,7-11H2
InChIKeyFLHACXKEIOZUSP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.22
Rot. Bonds4

About 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 59225842) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID59225842
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCN2CCOCC2)nc2ccccn12
InChIInChI=1S/C13H18N4O2/c18-13-16-6-2-1-4-12(16)14-17(13)7-3-5-15-8-10-19-11-9-15/h1-2,4,6H,3,5,7-11H2
InChIKeyFLHACXKEIOZUSP-UHFFFAOYSA-N
XLogP0.22
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one chloride
CID 45114117
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;methanol
CID 19795514
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
2-[3-(oxolan-2-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618657
2-[2-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 81497209
2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115870969
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56808191
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 104975319

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 59225842) is 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCCN2CCOCC2)nc2ccccn12.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FLHACXKEIOZUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13-16-6-2-1-4-12(16)14-17(13)7-3-5-15-8-10-19-11-9-15/h1-2,4,6H,3,5,7-11H2.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 262.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 59225842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).