Common name
1,3-dimethyl-1,2,4-triazole
IUPAC name
1,3-dimethyl-1,2,4-triazole
SMILES
n1(nc(nc1)C)C
Common name
1,3-dimethyl-1,2,4-triazole
IUPAC name
1,3-dimethyl-1,2,4-triazole
SMILES
n1(nc(nc1)C)C
INCHI
InChI=1S/C4H7N3/c1-4-5-3-7(2)6-4/h3H,1-2H3
FORMULA
C4H7N3
Common name
1,3-dimethyl-1,2,4-triazole
IUPAC name
1,3-dimethyl-1,2,4-triazole
Molecular weight
98.126
clogP
-0.727
clogS
-0.581
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
32.56
Number of Rings
1
Rotatable Bond
0
| 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 | 0.689655 | -5.66 | c1([nH+]c[nH]n1)C | 6 |
| 2c1p_ligand_1_2.mol2 | 2c1p | 0.655172 | -5.48 | c1[nH][n+](cn1)C | 6 |
| 5afv_ligand_1_4.mol2 | 5afv | 0.655172 | -5.48 | C[n+]1c[nH]cn1 | 6 |
| 2c5y_ligand_1_0.mol2 | 2c5y | 0.655172 | -5.44 | C[n+]1c[nH]cn1 | 6 |
| 2c5x_ligand_1_0.mol2 | 2c5x | 0.655172 | -5.37 | c1[nH]cn[n+]1C | 6 |
100 ,
11
