R20
Summary
| Name: | 4-(3-METHYLPHENYL)-1H-1,2,3-TRIAZOLE |
| Formula: | C9 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 159.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(3-methylphenyl)-1H-1,2,3-triazole |
| OpenEye OEToolkits | 1.5.0 | 4-(3-methylphenyl)-1H-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1nncc1c2cc(ccc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(c1)c2c[nH]nn2 |
| SMILES | CACTVS | 3.341 | Cc1cccc(c1)c2c[nH]nn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)c2c[nH]nn2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)c2c[nH]nn2 |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3/c1-7-3-2-4-8(5-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12) |
| InChIKey | InChI | 1.03 | XQHCBHNLRWLGQS-UHFFFAOYSA-N |
