Common name
3-ethyl-1H-1,2,4-triazole
IUPAC name
3-ethyl-1H-1,2,4-triazole
SMILES
[nH]1nc(nc1)CC
Common name
3-ethyl-1H-1,2,4-triazole
IUPAC name
3-ethyl-1H-1,2,4-triazole
SMILES
[nH]1nc(nc1)CC
INCHI
InChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
FORMULA
C4H7N3
Common name
3-ethyl-1H-1,2,4-triazole
IUPAC name
3-ethyl-1H-1,2,4-triazole
Molecular weight
97.118
clogP
1.332
clogS
-1.419
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
41.57
Number of Rings
1
Rotatable Bond
1
| 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 | 0.714286 | -5.66 | c1([nH+]c[nH]n1)C | 6 |
| 2gz8_ligand_1_3.mol2 | 2gz8 | 0.512821 | -5.74 | C(F)(F)(F)c1[nH+]cn[nH]1 | 9 |
| 4b0c_ligand_frag_0.mol2 | 4b0c | 0.428571 | -5.62 | c1[nH+][nH]cn1 | 5 |
| 4bnu_ligand_frag_2.mol2 | 4bnu | 0.428571 | -5.51 | c1[nH+]c[nH]n1 | 5 |
101 ,
11
