TZM
Summary
| Name: | 3-(1H-1,2,4-triazol-1-ylmethyl)aniline |
| Formula: | C9 H10 N4 |
| Formal charge: | 0 |
| Formula weight: | 174.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(1H-1,2,4-triazol-1-ylmethyl)aniline |
| OpenEye OEToolkits | 1.7.6 | 3-(1,2,4-triazol-1-ylmethyl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cn(nc1)Cc2cc(N)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4/c10-9-3-1-2-8(4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2 |
| InChIKey | InChI | 1.03 | LFINNEVQJQXPHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1cccc(Cn2cncn2)c1 |
| SMILES | CACTVS | 3.370 | Nc1cccc(Cn2cncn2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)N)Cn2cncn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)N)Cn2cncn2 |
