4-Phenyl-1,2,4-triazolidine-3,5-dione

C₈H₇N₃O₂CAS 15988-11-1177.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇N₃O₂
Molar mass: 177.16 g/mol
Exact mass: 177.0538 Da
Melting point: 202–203 °C
logP: 0.68Crippen estimate
Polar surface area: 71.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

15988-11-1

SMILES

Oc1nnc(O)n1-c1ccccc1

InChIKey

GOSUFRDROXZXLN-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1,2,4-Triazolidine-3,5-dione, 4-phenyl-
Bicarbamimide, N-phenyl-
4-Phenylurazole
NSC 93432

Work with 4-Phenyl-1,2,4-triazolidine-3,5-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,4-Triazolo[4,3-A]pyridin-3(2H)-one6969-71-743 % similar 9-Phenylcarbazole1150-62-541 % similar 2,5-Dimethyl-1-phenylpyrrole83-24-941 % similar 5-Chloro-1-phenyl-1H-tetrazole14210-25-438 % similar 1-Phenyl-3-hydroxy-1,2,4-triazole4231-68-938 % similar 5,5′-Dithiobis[1-phenyl-1H-tetrazole]5117-07-738 % similar 1-Phenyl-5-mercaptotetrazole86-93-138 % similar 1-Phenylpyrrole635-90-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-2 Luminol521-31-3 1-Methyl-5-nitroindazole5228-49-9 3-Methyl-6-nitro-1H-indazole6494-19-5 2-Methylpyrazolo[1,5-A]pyrimidine-6-carboxylic acid739364-95-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook