1,2,4-TRIAZOLIDINE-3,5-DIONE, 4-PHENYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9V4N9J1BIH
EPA CompTox DTXSID5065988

Structure

InChI Key GOSUFRDROXZXLN-UHFFFAOYSA-N
Smiles O=c1[nH][nH]c(=O)n1c1ccccc1
InChI
InChI=1S/C8H7N3O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7N3O2
Molecular Weight 177.05
AlogP 0.68
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 71.17
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 15988-11-1
NORMAN SUSDAT
FDA SRS 9V4N9J1BIH
PubChem 85229
ChemSpider 76862.0
CONTENTS