4XP
Summary
| Name: | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole) |
| Formula: | C9 H14 N6 |
| Formal charge: | 0 |
| Formula weight: | 206.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,4'-propane-1,3-diylbis(1-methyl-1H-1,2,3-triazole) |
| OpenEye OEToolkits | 1.9.2 | 1-methyl-4-[3-(1-methyl-1,2,3-triazol-4-yl)propyl]-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Cc1nnn(C)c1)Cc2nnn(c2)C |
| InChI | InChI | 1.03 | InChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3 |
| InChIKey | InChI | 1.03 | NXBVOKRBXODKCH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(CCCc2cn(C)nn2)nn1 |
| SMILES | CACTVS | 3.385 | Cn1cc(CCCc2cn(C)nn2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1cc(nn1)CCCc2cn(nn2)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cn1cc(nn1)CCCc2cn(nn2)C |
