A1CFM
Summary
| Name: | 1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine |
| Formula: | C9 H13 N5 |
| Formal charge: | 0 |
| Formula weight: | 191.233 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-~{N}-[(5-methyl-1~{H}-pyrazol-4-yl)methyl]pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cn1nc(NCc2cn[NH]c2C)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H13N5/c1-7-8(6-11-12-7)5-10-9-3-4-14(2)13-9/h3-4,6H,5H2,1-2H3,(H,10,13)(H,11,12) |
| InChIKey | InChI | 1.06 | CMVXYGAEPZMOKZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccc(NCc2cn[nH]c2C)n1 |
| SMILES | CACTVS | 3.385 | Cn1ccc(NCc2cn[nH]c2C)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cn[nH]1)CNc2ccn(n2)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1c(cn[nH]1)CNc2ccn(n2)C |
