Common name
3,5-diethyl-1H-1,2,4-triazole
IUPAC name
3,5-diethyl-1H-1,2,4-triazole
SMILES
[nH]1nc(nc1CC)CC
Common name
3,5-diethyl-1H-1,2,4-triazole
IUPAC name
3,5-diethyl-1H-1,2,4-triazole
SMILES
[nH]1nc(nc1CC)CC
INCHI
InChI=1S/C6H11N3/c1-3-5-7-6(4-2)9-8-5/h3-4H2,1-2H3,(H,7,8,9)
FORMULA
C6H11N3
Common name
3,5-diethyl-1H-1,2,4-triazole
IUPAC name
3,5-diethyl-1H-1,2,4-triazole
Molecular weight
125.172
clogP
1.939
clogS
-2.404
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
41.57
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01145 | Forasartan |
|
Angiotensin Receptor Antagonists; Angiotensin II Receptor Antagonists; | For the treatment of hypertension. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cqu_ligand_frag_3.mol2 | 3cqu | 0.625 | -5.66 | c1([nH+]c[nH]n1)C | 6 |
| 2gz8_ligand_1_3.mol2 | 2gz8 | 0.465116 | -5.74 | C(F)(F)(F)c1[nH+]cn[nH]1 | 9 |
| 4ncg_ligand_1_3.mol2 | 4ncg | 0.392157 | -6.39 | c1(n[nH]c(=O)n1C)C | 8 |
101 ,
11
