J84
Summary
| Name: | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine |
| Formula: | C10 H7 Cl2 N7 |
| Formal charge: | 0 |
| Formula weight: | 296.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine |
| OpenEye OEToolkits | 2.0.6 | 2-(2,4-dichlorophenyl)-4-(1~{H}-1,2,3,4-tetrazol-5-yl)pyrazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(nnnn1)c3cnn(c2ccc(cc2Cl)Cl)c3N |
| InChI | InChI | 1.03 | InChI=1S/C10H7Cl2N7/c11-5-1-2-8(7(12)3-5)19-9(13)6(4-14-19)10-15-17-18-16-10/h1-4H,13H2,(H,15,16,17,18) |
| InChIKey | InChI | 1.03 | PZJPDMQBQCJCAX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1n(ncc1c2[nH]nnn2)c3ccc(Cl)cc3Cl |
| SMILES | CACTVS | 3.385 | Nc1n(ncc1c2[nH]nnn2)c3ccc(Cl)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N |
