| CAS Number | 1215295-89-8 |
| Catalog Number | AG009DYT(AGN-PC-0WB5US) |
| Chemical Name | 3-Bromo-2-methylpyrazolo[1,5-d][1,2,4]triazin-7(6H)-one |
| IUPAC Name | 3-bromo-2-methyl-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one |
| InChI | InChI=1S/C6H5BrN4O/c1-3-5(7)4-2-8-9-6(12)11(4)10-3/h2H,1H3,(H,9,12) |
| InChI Key | YDNQZZLDNBBBDM-UHFFFAOYSA-N |
| MDL Number | MFCD14702925 |
| Molecular Formula | C6H5BrN4O |
| Molecular Weight | 229.0341 |
| SMILES | O=C1NN=CC2=C(Br)C(C)=NN12 |
| Synonyms | 1215295-89-8,
3-bromo-2-methylpyrazolo[1,5-d][1,2,4]triazin-7(6h)-one,
ZX-CM009426,
MFCD14702925,
ZINC42384391,
AKOS022185602,
FCH1387546,
MCULE-4308550608,
AJ-104390,
Y-7560,
3-bromo-2-methylpyrazolo[1,5-d][1,2,4]triazin-7(6H)-one(SALTDATA,
YDNQZZLDNBBBDM-UHFFFAOYSA-N,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.037g/mol |
| Monoisotopic Mass | 227.965g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number