47J
Summary
| Name: | 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine |
| 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-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine |
| OpenEye OEToolkits | 1.9.2 | (2,5-dimethylpyrazol-3-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(cc(n1C)CN)C |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3/c1-5-3-6(4-7)9(2)8-5/h3H,4,7H2,1-2H3 |
| InChIKey | InChI | 1.03 | DAOWQCXPMWGSBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)cc1CN |
| SMILES | CACTVS | 3.385 | Cn1nc(C)cc1CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(n(n1)C)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(n(n1)C)CN |
