| Sonrisas canónicas | C1CC1CC2=NN=C(O2)N |
|---|---|
| IUPAC Name | 5-(cyclopropylmethyl)-1,3,4-oxadiazol-2-amine |
| InChIKey | LDDPQJLKSWPWQE-UHFFFAOYSA-N |
| INCHI | 1S/C6H9N3O/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2,(H2,7,9) |
| Isómeros SMILES | C1CC1CC2=NN=C(O2)N |
| PubChem CID | 22661077 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Oxadiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,3,4-oxadiazoles |
| Alternative Parents | Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1,3,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 3, and 4, respectively. |
| External Descriptors | Not available |
| Peso molecular | 139.160 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 139.075 Da |
| Monoisotopic Mass | 139.075 Da |
| Topological Polar Surface Area | 64.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| 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 |
