XJM
Summary
| Name: | 5-methyl-1H-tetrazole |
| Formula: | C2 H4 N4 |
| Formal charge: | 0 |
| Formula weight: | 84.08 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-1H-tetrazole |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-1~{H}-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1nnnn1 |
| InChI | InChI | 1.03 | InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6) |
| InChIKey | InChI | 1.03 | XZGLNCKSNVGDNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nnn1 |
| SMILES | CACTVS | 3.385 | Cc1[nH]nnn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1[nH]nnn1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1[nH]nnn1 |
