1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-

HCID 84480

Notes Reactions

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Basic information

CAS: 14500-23-3
Standard SMILES: Cn1c(=O)[nH]n(-c2ccccc2)c1=O
InChIKey: XVVORNVNYKBZKT-UHFFFAOYSA-N
Molecular formula: C9H9N3O2
Average molar mass: 191.19 g/mol
Monoisotopic mass: 191.06947654

Names & identifiers

Preferred name: 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-
IUPAC: 4-methyl-1-phenyl-1,2,4-triazolidine-3,5-dione

Names & synonyms

4-Methyl-1-phenyl-1,2,4-triazolidine-3,5-dione1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-14500-23-31-Phenyl-4-methylurazole4-Methyl-1-phenylurazoleBicarbamimide, N-methyl-2-phenyl-4-methyl-1-phenyl urazoleSCHEMBL264035DTXSID90162868XVVORNVNYKBZKT-UHFFFAOYSA-N

Database identifiers

CAS: 14500-23-3
PubChem CID: 84480
DTXSID: DTXSID90162868
Nikkaji: J345.993D

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 52.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 261

Related reactions

2 records

New reaction record

HRID 371710As reactantuspto-grants-1978_05

HRID 2128496As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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