1,2,4-TRIAZOLO(4,3-A)PYRIDIN-3(2H)-ONE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J5EWP6L1VA
EPA CompTox DTXSID70219980

Structure

InChI Key LJRXNXBFJXXRNQ-UHFFFAOYSA-N
Smiles O=c1[nH]nc2ccccn12
InChI
InChI=1S/C6H5N3O/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5N3O1
Molecular Weight 135.04
AlogP 0.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Polar Surface Area 50.42
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6969-71-7
NORMAN SUSDAT
FDA SRS J5EWP6L1VA
PubChem 81431
ChemSpider 73475.0
CONTENTS