| CAS Number | 89793-29-3 |
| Catalog Number | AG01988S(AGN-PC-00PILR) |
| Chemical Name | 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine |
| IUPAC Name | 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C7H7ClN4/c1-4-5(2)11-7-9-3-10-12(7)6(4)8/h3H,1-2H3 |
| InChI Key | RPHBQCUEWQSJTD-UHFFFAOYSA-N |
| MDL Number | MFCD08899395 |
| Molecular Formula | C7H7ClN4 |
| Molecular Weight | 182.6103 |
| SMILES | CC1C(C)=C(Cl)N2C(=NC=N2)N=1 |
| Synonyms | 7-chloro-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine,
89793-29-3,
7-chloro-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine,
SCHEMBL7819692,
ZINC44494081,
AKOS011051271,
NE42412,
EN300-79241,
F1904-0011,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.611g/mol |
| Monoisotopic Mass | 182.036g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number