Basic information
- CAS
64891-99-2- Standard SMILES
C=C(C)C(C)(C)n1[nH]c(=O)n(-c2ccccc2)c1=O- InChIKey
ZKLIVMVXJROSHY-UHFFFAOYSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207679
Names & identifiers
- Preferred name
- 4-Phenyl-1-(1,1,2-trimethyl-2-propenyl)-1,2,4-triazolidine-3,5-dione
- IUPAC
- 1-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione
Names & synonyms
64891-99-24JPG23VWC04-Phenyl-1-(1,1,2-trimethyl-2-propenyl)-1,2,4-triazolidine-3,5-dioneUNII-4JPG23VWC0NSC 132122NSC-132122DTXSID902151811,2,4-Triazolidine-3,5-dione, 4-phenyl-1-(1,1,2-trimethyl-2-propenyl)-1,2,4-TRIAZOLIDINE-3,5-DIONE, 4-PHENYL-1-(1,1,2-TRIMETHYL-2-PROPEN-1-YL)-4-PHENYL-1-(1,1,2-TRIMETHYL-2-PROPEN-1-YL)-1,2,4-TRIAZOLIDINE-3,5-DIONERefChem:100340DTXCID90137672
Show more names
NSC1321221-(2,3-dimethylbut-3-en-2-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione4-phenyl-1-(1,1,2-trimethylallyl)-1,2,4-triazolidine-3,5-dione
Database identifiers
- CAS
64891-99-2- PubChem CID
- 280476
- DTXSID
DTXSID90215181- UNII
- 4JPG23VWC0
- Nikkaji
- J2.590.057J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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