Common name
3,5-diethyl-1-methyl-1,2,4-triazole
IUPAC name
3,5-diethyl-1-methyl-1,2,4-triazole
SMILES
n1(nc(nc1CC)CC)C
Common name
3,5-diethyl-1-methyl-1,2,4-triazole
IUPAC name
3,5-diethyl-1-methyl-1,2,4-triazole
SMILES
n1(nc(nc1CC)CC)C
INCHI
InChI=1S/C7H13N3/c1-4-6-8-7(5-2)10(3)9-6/h4-5H2,1-3H3
FORMULA
C7H13N3
Common name
3,5-diethyl-1-methyl-1,2,4-triazole
IUPAC name
3,5-diethyl-1-methyl-1,2,4-triazole
Molecular weight
140.206
clogP
0.189
clogS
-1.985
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
32.56
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 | 0.444444 | -5.66 | c1([nH+]c[nH]n1)C | 6 |
| 2c1p_ligand_1_2.mol2 | 2c1p | 0.422222 | -5.48 | c1[nH][n+](cn1)C | 6 |
| 5afv_ligand_1_4.mol2 | 5afv | 0.422222 | -5.48 | C[n+]1c[nH]cn1 | 6 |
| 2c5y_ligand_1_0.mol2 | 2c5y | 0.422222 | -5.44 | C[n+]1c[nH]cn1 | 6 |
122 ,
13
