40R
Summary
| Name: | 1-butyl-1H-1,2,4-triazole |
| Formula: | C6 H11 N3 |
| Formal charge: | 0 |
| Formula weight: | 125.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-butyl-1H-1,2,4-triazole |
| OpenEye OEToolkits | 1.7.6 | 1-butyl-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1cn(nc1)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3/c1-2-3-4-9-6-7-5-8-9/h5-6H,2-4H2,1H3 |
| InChIKey | InChI | 1.03 | NSGZEKTXHYHICN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCn1cncn1 |
| SMILES | CACTVS | 3.385 | CCCCn1cncn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCn1cncn1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCn1cncn1 |
