2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C13H15N5O3 — CID 102559350

IUPAC2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOC(C)c1noc(CCn2nc3ccccn3c2=O)n1
InChIInChI=1S/C13H15N5O3/c1-9(20-2)12-14-11(21-16-12)6-8-18-13(19)17-7-4-3-5-10(17)15-18/h3-5,7,9H,6,8H2,1-2H3
InChIKeyPRDBXFDUFHRCKT-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.83
Rot. Bonds5

About 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 102559350) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID102559350
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOC(C)c1noc(CCn2nc3ccccn3c2=O)n1
InChIInChI=1S/C13H15N5O3/c1-9(20-2)12-14-11(21-16-12)6-8-18-13(19)17-7-4-3-5-10(17)15-18/h3-5,7,9H,6,8H2,1-2H3
InChIKeyPRDBXFDUFHRCKT-UHFFFAOYSA-N
XLogP0.83
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579323
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
CID 60966575
2-[[3-[(3S,5R)-3,5-dimethylcyclohexyl]-1,2,4-oxadiazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 100693036
2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618637
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
2-but-3-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 63656448

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 102559350) is 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is COC(C)c1noc(CCn2nc3ccccn3c2=O)n1.
What is the InChIKey of 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is PRDBXFDUFHRCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9(20-2)12-14-11(21-16-12)6-8-18-13(19)17-7-4-3-5-10(17)15-18/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 289.30 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 102559350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).