1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione

HCID 152126
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Basic information

CAS
16044-43-2
Standard SMILES
CC(=O)n1[nH]c(=O)n(-c2ccccc2)c1=O
InChIKey
GMFZGVRQOGGCSY-UHFFFAOYSA-N
Molecular formula
C10H9N3O3
Average molar mass
219.2 g/mol
Monoisotopic mass
219.06439116

Names & identifiers

Preferred name
1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
IUPAC
1-acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
English name
1-acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Molecular formula
C10H9N3O3
Molecular weight
219.2

Names & synonyms

1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione16044-43-21,4-AptdDTXSID10166883RefChem:74820DTXCID3089374NSC682734NSC-682734SCHEMBL3906792CHEMBL1989133GMFZGVRQOGGCSY-UHFFFAOYSA-NNCI60_029627
Show more names
1,2,4-Triazolidine-3,5-dione, 1-acetyl-4-phenyl-1-methylcarbonyl-4-phenyl-1,2,4-triazolidine-3,5-dione

Database identifiers

CAS
16044-43-2
PubChem CID
152126
DTXSID
DTXSID10166883
ChEMBL
CHEMBL1989133
Nikkaji
J490.167C

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
69.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Melting point
216.5 · 216.5-218.5 °C(Solv: ethanol (64-17-5))
Density
1.411 · 1.411±0.06 g/cm3(Predicted)
pka
3.57 · 3.57±0.50(Predicted)

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

4 records
New reaction record

Compound notes

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