NVD
Summary
| Name: | N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine |
| Formula: | C11 H15 N5 |
| Formal charge: | 0 |
| Formula weight: | 217.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[[4-(dimethylamino)phenyl]methyl]-1,2,4-triazol-4-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C)(C)c2ccc(CNn1cnnc1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3 |
| InChIKey | InChI | 1.03 | ZPORTAACPUBAHX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc(CNn2cnnc2)cc1 |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc(CNn2cnnc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(C)c1ccc(cc1)CNn2cnnc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(C)c1ccc(cc1)CNn2cnnc2 |
