Common name
3-ethyl-1,5-dimethyl-1,2,4-triazole
IUPAC name
3-ethyl-1,5-dimethyl-1,2,4-triazole
SMILES
n1(nc(nc1C)CC)C
Common name
3-ethyl-1,5-dimethyl-1,2,4-triazole
IUPAC name
3-ethyl-1,5-dimethyl-1,2,4-triazole
SMILES
n1(nc(nc1C)CC)C
INCHI
InChI=1S/C6H11N3/c1-4-6-7-5(2)9(3)8-6/h4H2,1-3H3
FORMULA
C6H11N3
Common name
3-ethyl-1,5-dimethyl-1,2,4-triazole
IUPAC name
3-ethyl-1,5-dimethyl-1,2,4-triazole
Molecular weight
126.180
clogP
-0.119
clogS
-1.566
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
32.56
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 | 0.465116 | -5.66 | c1([nH+]c[nH]n1)C | 6 |
| 2c1p_ligand_1_2.mol2 | 2c1p | 0.44186 | -5.48 | c1[nH][n+](cn1)C | 6 |
| 5afv_ligand_1_4.mol2 | 5afv | 0.44186 | -5.48 | C[n+]1c[nH]cn1 | 6 |
| 2c5y_ligand_1_0.mol2 | 2c5y | 0.44186 | -5.44 | C[n+]1c[nH]cn1 | 6 |
105 ,
11
