Common name
5-methyl-1H-1,2,4-triazole
IUPAC name
5-methyl-1H-1,2,4-triazole
SMILES
[nH]1ncnc1C
Common name
5-methyl-1H-1,2,4-triazole
IUPAC name
5-methyl-1H-1,2,4-triazole
SMILES
[nH]1ncnc1C
INCHI
InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)
FORMULA
C3H5N3
Common name
5-methyl-1H-1,2,4-triazole
IUPAC name
5-methyl-1H-1,2,4-triazole
Molecular weight
83.092
clogP
1.230
clogS
-0.986
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
41.57
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. |
| FDBD01321 | Maraviroc |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; CCR5 Receptor Antagonists; | For treatment-experienced adult patients infected with only CCR5-tropic HIV-1 detectable, who have evidence of viral replication and HIV-1 strains resistant to multiple antiretroviral agents. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3cqu_ligand_frag_3.mol2 | 3cqu | 1 | -5.66 | c1([nH+]c[nH]n1)C | 6 |
| 2gz8_ligand_1_3.mol2 | 2gz8 | 0.645161 | -5.74 | C(F)(F)(F)c1[nH+]cn[nH]1 | 9 |
| 4b0c_ligand_frag_0.mol2 | 4b0c | 0.6 | -5.62 | c1[nH+][nH]cn1 | 5 |
| 4bnu_ligand_frag_2.mol2 | 4bnu | 0.6 | -5.51 | c1[nH+]c[nH]n1 | 5 |
101 ,
11
