AC1NK4DI
5-tert-butyl-10-(2,5-dimethylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 3-tert-butyl-7-(2,5-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine|3-(tert-butyl)-7-(2,5-dimethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
CAS: 879477-11-9
| Molecular Formula | C18H20N6 |
|---|---|
| Molecular Weight | 320.17496 g/mol |
| LogP | 3.37754 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.17496 |
| Monoisotopic Mass | 320.17496 |
| Heavy Atoms | 24 |
| Complexity | 1064.4308 |
Chemical Identifiers
| CAS Number | 879477-11-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C3=C(C=N2)C4=NN=C(N4C=N3)C(C)(C)C |
Product Overview
AC1NK4DI (CAS 879477-11-9), with molecular formula C18H20N6 and molecular weight 320.17496 g/mol. IUPAC: 5-tert-butyl-10-(2,5-dimethylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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