VFB
Summary
| Name: | 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium |
| Formula: | C8 H7 N4 |
| Formal charge: | 1 |
| Formula weight: | 159.168 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium |
| OpenEye OEToolkits | 1.7.6 | 3,4-dihydro-[1,2,4]triazolo[1,5-a]benzimidazol-9-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3[n+]2c1ccccc1nc2nc3 |
| InChI | InChI | 1.03 | InChI=1S/C8H6N4/c1-2-4-7-6(3-1)11-8-9-5-10-12(7)8/h1-5H,(H,9,10,11)/p+1 |
| InChIKey | InChI | 1.03 | UHMYOSZMUIJCFW-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | [nH]1cn[n+]2c1[nH]c3ccccc23 |
| SMILES | CACTVS | 3.370 | [nH]1cn[n+]2c1[nH]c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c3[n+]2nc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c3[n+]2nc[nH]3 |
