T45
Summary
| Name: | METHYL 2H-1,2,3-TRIAZOLE-4-CARBOXYLATE |
| Formula: | C4 H5 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 127.101 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl 2H-1,2,3-triazole-4-carboxylate |
| OpenEye OEToolkits | 1.5.0 | methyl 2H-1,2,3-triazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)c1nnnc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1cn[nH]n1 |
| SMILES | CACTVS | 3.341 | COC(=O)c1cn[nH]n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)c1cn[nH]n1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)c1cn[nH]n1 |
| InChI | InChI | 1.03 | InChI=1S/C4H5N3O2/c1-9-4(8)3-2-5-7-6-3/h2H,1H3,(H,5,6,7) |
| InChIKey | InChI | 1.03 | FZXQUCUWEZQIHL-UHFFFAOYSA-N |
