| Canonical Smiles | CC1=C2C(=NN1)N=CC(=N2)Br |
|---|---|
| IUPAC Name | 5-bromo-3-methyl-2H-pyrazolo[3,4-b]pyrazine |
| InChIKey | SQSUPLOCAWOOSN-UHFFFAOYSA-N |
| INCHI | 1S/C6H5BrN4/c1-3-5-6(11-10-3)8-2-4(7)9-5/h2H,1H3,(H,8,10,11) |
| Molecular Weight | 213.03 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrazolo[3,4-b]pyrazines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrazolo[3,4-b]pyrazines |
| Alternative Parents | Pyrazines Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrazolo[3,4-b]pyrazine - Pyrazine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrazolo[3,4-b]pyrazines. These are aromatic heterocyclic compounds containing a pyrazole ring and a pyrazine ring fused to one another without sharing a nitrogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 213.030 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 211.97 Da |
| Monoisotopic Mass | 211.97 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 154.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-Bromo-3-methyl-1H-pyrazolo[3,4-B]pyrazine - ≥98% , CAS No.1086064-35-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)