ZZR
Summary
| Name: | 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium |
| Formula: | C3 H6 N7 |
| Formal charge: | 1 |
| Formula weight: | 140.127 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium |
| OpenEye OEToolkits | 1.6.1 | 1,5-dihydro-[1,2,4]triazolo[5,4-e][1,2,4]triazol-4-ium-3,6-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1c(N)n[n+]2c(nnc12)N |
| SMILES_CANONICAL | CACTVS | 3.352 | Nc1[nH][n+]2c(N)n[nH]c2n1 |
| SMILES | CACTVS | 3.352 | Nc1[nH][n+]2c(N)n[nH]c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1([nH][n+]2c(n[nH]c2n1)N)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1([nH][n+]2c(n[nH]c2n1)N)N |
| InChI | InChI | 1.03 | InChI=1S/C3H5N7/c4-1-6-3-8-7-2(5)10(3)9-1/h(H5,4,5,6,7,8,9)/p+1 |
| InChIKey | InChI | 1.03 | JFMHNXXJHXPFLE-UHFFFAOYSA-O |
