A1AJ5
Summary
| Name: | (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine |
| Formula: | C10 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 188.229 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-(1-phenyl-1H-1,2,3-triazol-4-yl)ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-1-(1-phenyl-1,2,3-triazol-4-yl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(N)c1cn(nn1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4/c1-8(11)10-7-14(13-12-10)9-5-3-2-4-6-9/h2-8H,11H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | WHLMWNCAOOBOTJ-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)c1cn(nn1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C[CH](N)c1cn(nn1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cn(nn1)c2ccccc2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cn(nn1)c2ccccc2)N |
