|
Ligand Download |
||
 | ||
| Ligand Name: ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine | ||
| HET ID: M45 | PubChem: 145994375 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: C1CN[C@H](C1)Nc1ncn[nH]1 | ||
| Standard InChI: 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 | ||
| Molecular Formula: C6H11N5 | Mol. Weight: 153.18504 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: True | logP: 0.3279 |
| HBD: 3 | HBA: 4 | TPSA: 65.63 |
| #Bonds: 14 | #Rotatable Bonds: 2 | Shape Complexity: 0.6666667 |
| Stereocomplexity: 0.16666667 | ||