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

C12H15N3O2 — CID 116618642

IUPAC2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCC2CCCO2)nc2ccccn12
InChIInChI=1S/C12H15N3O2/c16-12-14-7-2-1-5-11(14)13-15(12)8-6-10-4-3-9-17-10/h1-2,5,7,10H,3-4,6,8-9H2
InChIKeyDHCFYDKQTOMMBP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.07
Rot. Bonds3

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

2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 116618642) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID116618642
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCC2CCCO2)nc2ccccn12
InChIInChI=1S/C12H15N3O2/c16-12-14-7-2-1-5-11(14)13-15(12)8-6-10-4-3-9-17-10/h1-2,5,7,10H,3-4,6,8-9H2
InChIKeyDHCFYDKQTOMMBP-UHFFFAOYSA-N
XLogP1.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(oxolan-2-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618657
2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56808191
2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350
2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 59225842
2-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 95573610
2-(1-oxaspiro[4.5]decan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 102846362
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448
2-(3,4-dihydro-1H-isochromen-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115629334
2-[2-(4-hydroxy-1,2-oxazolidin-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 112737194
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 116618642) is 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCC2CCCO2)nc2ccccn12.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DHCFYDKQTOMMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-12-14-7-2-1-5-11(14)13-15(12)8-6-10-4-3-9-17-10/h1-2,5,7,10H,3-4,6,8-9H2.
What are the key properties of 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 233.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 116618642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).