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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC2=NC(=C(N2C1)C#N)N |
|---|---|
| IUPAC Name | 2-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carbonitrile |
| InChIKey | VHWJRWLIACERSE-UHFFFAOYSA-N |
| INCHI | 1S/C7H8N4/c8-4-5-7(9)10-6-2-1-3-11(5)6/h1-3,9H2 |
| Molecular Weight | 148.17 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Aminoimidazoles |
| Alternative Parents | N-substituted imidazoles Imidolactams Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidolactam - N-substituted imidazole - Aminoimidazole - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminoimidazoles. These are organic compounds containing an amino group linked to an imidazole ring. |
| External Descriptors | Not available |
| Molecular Weight | 148.170 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 148.075 Da |
| Monoisotopic Mass | 148.075 Da |
| Topological Polar Surface Area | 67.600 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 206.000 |
| 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 |