4KA
Summary
| Name: | 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole |
| Formula: | C5 H6 N4 |
| Formal charge: | 0 |
| Formula weight: | 122.128 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-1,5-dihydropyrazolo[4,3-c]pyrazole |
| OpenEye OEToolkits | 1.7.6 | 6-methyl-2,4-dihydropyrazolo[4,3-c]pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1ncc2c1c(nn2)C |
| InChI | InChI | 1.03 | InChI=1S/C5H6N4/c1-3-5-4(8-7-3)2-6-9-5/h2H,1H3,(H,6,9)(H,7,8) |
| InChIKey | InChI | 1.03 | KRAKREBEXWCQMF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1n[nH]c2c[nH]nc12 |
| SMILES | CACTVS | 3.370 | Cc1n[nH]c2c[nH]nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c2c(c[nH]n2)[nH]n1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c2c(c[nH]n2)[nH]n1 |
