Q2I
Summary
| Name: | 1-(1-methyl-1H-pyrazol-5-yl)methanamine |
| Formula: | C5 H9 N3 |
| Formal charge: | 0 |
| Formula weight: | 111.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1-methyl-1H-pyrazol-5-yl)methanamine |
| OpenEye OEToolkits | 2.0.7 | (2-methylpyrazol-3-yl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCc1ccnn1C |
| InChI | InChI | 1.03 | InChI=1S/C5H9N3/c1-8-5(4-6)2-3-7-8/h2-3H,4,6H2,1H3 |
| InChIKey | InChI | 1.03 | XNTFQMKXUFFUQO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nccc1CN |
| SMILES | CACTVS | 3.385 | Cn1nccc1CN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(ccn1)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(ccn1)CN |
