K3S
Summary
| Name: | N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine |
| Formula: | C6 H12 N4 |
| Formal charge: | 0 |
| Formula weight: | 140.186 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(1-methyl-1,2,3-triazol-4-yl)methyl]ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1(nnc(c1)CNCC)C |
| InChI | InChI | 1.03 | InChI=1S/C6H12N4/c1-3-7-4-6-5-10(2)9-8-6/h5,7H,3-4H2,1-2H3 |
| InChIKey | InChI | 1.03 | LOLVREZTZUWBEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNCc1cn(C)nn1 |
| SMILES | CACTVS | 3.385 | CCNCc1cn(C)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCNCc1cn(nn1)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCNCc1cn(nn1)C |
