LM6
Summary
| Name: | 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine |
| Formula: | C7 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 139.198 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine |
| OpenEye OEToolkits | 2.0.7 | 1-(2-ethylpyrazol-3-yl)-~{N}-methyl-methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCn1nccc1CNC |
| InChI | InChI | 1.03 | InChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3 |
| InChIKey | InChI | 1.03 | IPBXAQNEXLMXRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1nccc1CNC |
| SMILES | CACTVS | 3.385 | CCn1nccc1CNC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c(ccn1)CNC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c(ccn1)CNC |
