A1DO6
Summary
| Name: | (5-amino-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| Formula: | C7 H11 N5 O |
| Formal charge: | 0 |
| Formula weight: | 181.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (5-amino-1H-1,2,3-triazol-4-yl)(pyrrolidin-1-yl)methanone |
| OpenEye OEToolkits | 3.1.0.0 | (5-azanyl-1~{H}-1,2,3-triazol-4-yl)-pyrrolidin-1-yl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Nc1[NH]nnc1C(=O)N1CCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C7H11N5O/c8-6-5(9-11-10-6)7(13)12-3-1-2-4-12/h1-4H2,(H3,8,9,10,11) |
| InChIKey | InChI | 1.06 | ZZNNYUXZAVMJCU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nnc1C(=O)N2CCCC2 |
| SMILES | CACTVS | 3.385 | Nc1[nH]nnc1C(=O)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CCN(C1)C(=O)c2c([nH]nn2)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CCN(C1)C(=O)c2c([nH]nn2)N |
