O0Q
Summary
| Name: | ~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide |
| Formula: | C13 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 242.276 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N4O/c18-12(14-1-3-17-4-2-15-16-17)13-9-6-5-7(9)11(13)8(5)10(6)13/h2,4-11H,1,3H2,(H,14,18)/t5-,6+,7-,8+,9+,10-,11+,13+ |
| InChIKey | InChI | 1.03 | OEUPRBXQNJLJSP-NFVYEKIASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCn1ccnn1)C23C4C5C6C4C2C6C35 |
| SMILES | CACTVS | 3.385 | O=C(NCCn1ccnn1)C23C4C5C6C4C2C6C35 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36 |
