| CAS Number | 1250444-41-7 |
| Catalog Number | AG00HHVY(AGN-PC-0WB66L) |
| Chemical Name | 6-bromo-2-methyl[1,2,4]triazolo[1,5-a]pyrimidine |
| IUPAC Name | 6-bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine |
| InChI | InChI=1S/C6H5BrN4/c1-4-9-6-8-2-5(7)3-11(6)10-4/h2-3H,1H3 |
| InChI Key | BMFLPKDEGSSKHU-UHFFFAOYSA-N |
| MDL Number | MFCD16987575 |
| Molecular Formula | C6H5BrN4 |
| Molecular Weight | 213.0347 |
| SMILES | CC1=NN2C=C(C=NC2=N1)Br |
| Synonyms | 1250444-41-7,
6-bromo-2-methyl[1,2,4]triazolo[1,5-a]pyrimidine,
6-Bromo-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine,
SCHEMBL18247884,
ALBB-026506,
MFCD16987575,
ZINC89064076,
AKOS017259096,
SB18396,
A-6948,
[1,2,4]triazolo[1,5-a]pyrimidine, 6-bromo-2-methyl-,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.038g/mol |
| Monoisotopic Mass | 211.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number