4XQ
Summary
| Name: | 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole) |
| Formula: | C15 H26 N6 |
| Formal charge: | 0 |
| Formula weight: | 290.407 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4'-pentane-1,5-diylbis(1-propyl-1H-1,2,3-triazole) |
| OpenEye OEToolkits | 1.9.2 | 1-propyl-4-[5-(1-propyl-1,2,3-triazol-4-yl)pentyl]-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Cn1cc(nn1)CCCCCc2cn(CCC)nn2)C |
| InChI | InChI | 1.03 | InChI=1S/C15H26N6/c1-3-10-20-12-14(16-18-20)8-6-5-7-9-15-13-21(11-4-2)19-17-15/h12-13H,3-11H2,1-2H3 |
| InChIKey | InChI | 1.03 | MUTHZRDXMHMSAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCn1cc(CCCCCc2cn(CCC)nn2)nn1 |
| SMILES | CACTVS | 3.385 | CCCn1cc(CCCCCc2cn(CCC)nn2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCn1cc(nn1)CCCCCc2cn(nn2)CCC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCn1cc(nn1)CCCCCc2cn(nn2)CCC |
