| CAS Number | 93608-69-6 |
| Catalog Number | AG019VWI(AGN-PC-015PMK) |
| Chemical Name | 5-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine |
| IUPAC Name | 5-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C9H11ClN4/c1-9(2,3)6-4-7(10)14-8(13-6)11-5-12-14/h4-5H,1-3H3 |
| InChI Key | SMOUGYDUFWHMAY-UHFFFAOYSA-N |
| MDL Number | MFCD09041836 |
| Molecular Formula | C9H11ClN4 |
| Molecular Weight | 210.6634 |
| SMILES | CC(C1=NC2N(N=CN=2)C(Cl)=C1)(C)C |
| Synonyms | 5-tert-butyl-7-chloro-[1,2,4]triazolo[1,5-a]pyrimidine,
93608-69-6,
AC1Q1MCW,
SCHEMBL10909304,
CTK6G7138,
SMOUGYDUFWHMAY-UHFFFAOYSA-N,
ZINC21949996,
AKOS000124317,
4-Chloro-6-t-butyl-1,3,3a,7-tetrazaindene,
EN300-49724,
4-Chloro-6-t-butyl-1,3,3a,7-tetraazaindene,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.665g/mol |
| Monoisotopic Mass | 210.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number