| Canonical Smiles | C1=CC(=CC=C1C2=CN=C(C=N2)N)Cl |
|---|---|
| IUPAC Name | 5-(4-chlorophenyl)pyrazin-2-amine |
| InChIKey | LGVCMQGHHBAYBA-UHFFFAOYSA-N |
| INCHI | 1S/C10H8ClN3/c11-8-3-1-7(2-4-8)9-5-14-10(12)6-13-9/h1-6H,(H2,12,14) |
| Molecular Weight | 205.64 |
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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 | Aminopyrazines |
| Alternative Parents | Chlorobenzenes Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Primary amine - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine ring. |
| External Descriptors | Not available |
| Molecular Weight | 205.640 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 205.041 Da |
| Monoisotopic Mass | 205.041 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 180.000 |
| 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 |
