2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one

Modify Date: 2025-08-25 18:49:01

2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one Structure
2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one structure
Common Name 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one
CAS Number 944-91-2 Molecular Weight 189.21400
Density 1.19g/cm3 Boiling Point 263.7ºC at 760 mmHg
Molecular Formula C10H11N3O Melting Point N/A
MSDS N/A Flash Point 113.3ºC

 Names

Name 2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.19g/cm3
Boiling Point 263.7ºC at 760 mmHg
Molecular Formula C10H11N3O
Molecular Weight 189.21400
Flash Point 113.3ºC
Exact Mass 189.09000
PSA 39.82000
LogP 0.78580
Index of Refraction 1.61
InChIKey XNHJDSQIZMQBFF-UHFFFAOYSA-N
SMILES Cn1nc(-c2ccccc2)n(C)c1=O

 Synthetic Route

~65%

2,4-dimethyl-5-phenyl-1,2,4-triazol-3-one Structure

2,4-dimethyl-5-...

CAS#:944-91-2

Literature: Kane, John M. Synthesis, 1987 , # 10 p. 912 - 914

 Bioassay

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 Synonyms

2,4-Dihydro-2,4-dimethyl-5-phenyl-3H-1,2,4-triazol-3-one
1,4-Dimethyl-3-phenyl-1,2,4-triazol-5-on
1,4-Dimethyl-3-phenyl-1,2,4-triazolin-5-on
3H-1,2,4-Triazol-3-one,2,4-dihydro-2,4-dimethyl-5-phenyl
2,4-dimethyl-5-phenyl-2,4-dihydro-[1,2,4]triazol-3-one
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