E30
Summary
| Name: | 4-(1H-tetrazol-5-yl)aniline |
| Formula: | C7 H7 N5 |
| Formal charge: | 0 |
| Formula weight: | 161.164 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(1H-tetrazol-5-yl)aniline |
| OpenEye OEToolkits | 1.7.6 | 4-(1H-1,2,3,4-tetrazol-5-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nnnc1c2ccc(N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12) |
| InChIKey | InChI | 1.03 | KTPONJJKCBOJCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1)c2[nH]nnn2 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2[nH]nnn2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1c2[nH]nnn2)N |
