 |
| 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 |
Ligand Type: Small Molecule |