280
Summary
| Name: | 1-methyl-1H-imidazole-5-carbaldehyde |
| Formula: | C5 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 110.114 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-methyl-1H-imidazole-5-carbaldehyde |
| OpenEye OEToolkits | 1.5.0 | 3-methylimidazole-4-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=Cc1cncn1C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cn1cncc1C=O |
| SMILES | CACTVS | 3.341 | Cn1cncc1C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1cncc1C=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cn1cncc1C=O |
| InChI | InChI | 1.03 | InChI=1S/C5H6N2O/c1-7-4-6-2-5(7)3-8/h2-4H,1H3 |
| InChIKey | InChI | 1.03 | BNYKZFOZWZMEJD-UHFFFAOYSA-N |
