A1CFS
Summary
| Name: | 2-(azetidin-3-yl)-1H-imidazole |
| Formula: | C6 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 123.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(azetidin-3-yl)-1H-imidazole |
| OpenEye OEToolkits | 3.1.0.0 | 2-(azetidin-3-yl)-1~{H}-imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | n1cc[NH]c1C1CNC1 |
| InChI | InChI | 1.06 | InChI=1S/C6H9N3/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2,(H,8,9) |
| InChIKey | InChI | 1.06 | FUUJTHNKOCYTDT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1NCC1c2[nH]ccn2 |
| SMILES | CACTVS | 3.385 | C1NCC1c2[nH]ccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cnc([nH]1)C2CNC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cnc([nH]1)C2CNC2 |
