| Canonical Smiles | CNC1=NC=C(N=C1OC)Br |
|---|---|
| IUPAC Name | 5-bromo-3-methoxy-N-methylpyrazin-2-amine |
| InChIKey | WMUHXFDYJJVMNX-UHFFFAOYSA-N |
| INCHI | 1S/C6H8BrN3O/c1-8-5-6(11-2)10-4(7)3-9-5/h3H,1-2H3,(H,8,9) |
| Isomeric SMILES | CNC1=NC=C(N=C1OC)Br |
| PubChem CID | 59694065 |
| Molecular Weight | 218.05 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Methoxypyrazines |
| Alternative Parents | Secondary alkylarylamines Aminopyrazines Alkyl aryl ethers Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methoxypyrazine - Alkyl aryl ether - Aminopyrazine - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Ether - Secondary amine - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 218.050 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 216.985 Da |
| Monoisotopic Mass | 216.985 Da |
| Topological Polar Surface Area | 47.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 124.000 |
| 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 |
