0CT
Summary
| Name: | 1H-benzotriazole |
| Formula: | C6 H5 N3 |
| Formal charge: | 0 |
| Formula weight: | 119.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H-benzotriazole |
| OpenEye OEToolkits | 1.7.6 | 1H-benzotriazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nnc2ccccc12 |
| InChI | InChI | 1.03 | InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9) |
| InChIKey | InChI | 1.03 | QRUDEWIWKLJBPS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [nH]1nnc2ccccc12 |
| SMILES | CACTVS | 3.370 | [nH]1nnc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]nn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]nn2 |
