| CAS Number | 1575613-02-3 |
| Catalog Number | AG01FR2D(AGN-PC-0WOMCB) |
| Chemical Name | tert-Butyl 2-bromo-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7(8H)-carboxylate |
| IUPAC Name | tert-butyl 2-bromo-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxylate |
| InChI | InChI=1S/C10H15BrN4O2/c1-10(2,3)17-9(16)14-4-5-15-7(6-14)12-8(11)13-15/h4-6H2,1-3H3 |
| InChI Key | DYHCYQFFNXJTGI-UHFFFAOYSA-N |
| MDL Number | MFCD26516216 |
| Molecular Formula | C10H15BrN4O2 |
| Molecular Weight | 303.1557 |
| SMILES | O=C(N1CC2=NC(Br)=NN2CC1)OC(C)(C)C |
| Synonyms | 1575613-02-3,
tert-Butyl 2-bromo-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyrazine-7(8H)-carboxylate,
SCHEMBL15933479,
TERT-BUTYL 2-BROMO-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZINE-7(8H)-CARBOXYLATE,
TERT-BUTYL2-BROMO-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZINE-7(8H)-CARBOXYLATE,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.03784g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.16g/mol |
| Monoisotopic Mass | 302.03784g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number