M45
Summary
| Name: | ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine |
| Formula: | C6 H11 N5 |
| Formal charge: | 0 |
| Formula weight: | 153.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | WNMXGGSUOUEZIK-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN[C@H](C1)Nc2[nH]ncn2 |
| SMILES | CACTVS | 3.385 | C1CN[CH](C1)Nc2[nH]ncn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc([nH]n1)N[C@H]2CCCN2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc([nH]n1)NC2CCCN2 |
