Common name
3-[(5-methyl-1,2,4-triazol-1-yl)methyl]pyridine
IUPAC name
3-[(5-methyl-1,2,4-triazol-1-yl)methyl]pyridine
SMILES
n1(ncnc1C)Cc2cnccc2
Common name
3-[(5-methyl-1,2,4-triazol-1-yl)methyl]pyridine
IUPAC name
3-[(5-methyl-1,2,4-triazol-1-yl)methyl]pyridine
SMILES
n1(ncnc1C)Cc2cnccc2
INCHI
InChI=1S/C9H10N4/c1-8-11-7-12-13(8)6-9-3-2-4-10-5-9/h2-5,7H,6H2,1H3
FORMULA
C9H10N4
Common name
3-[(5-methyl-1,2,4-triazol-1-yl)methyl]pyridine
IUPAC name
3-[(5-methyl-1,2,4-triazol-1-yl)methyl]pyridine
Molecular weight
175.210
clogP
0.131
clogS
-2.217
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
45.45
Number of Rings
2
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 |
|---|---|---|---|---|---|
| 2c5y_ligand_2_0.mol2 | 2c5y | 0.529412 | -6.76 | c1(ccccc1)C[n+]1c[nH]cn1 | 12 |
| 2c5x_ligand_2_0.mol2 | 2c5x | 0.529412 | -6.73 | c1(ccccc1)C[n+]1c[nH]cn1 | 12 |
| 5afv_ligand_2_8.mol2 | 5afv | 0.529412 | -6.35 | C([n+]1c[nH]cn1)c1ccccc1 | 12 |
| 2c1p_ligand_2_4.mol2 | 2c1p | 0.483871 | -6.84 | c1(ccc(cc1)C#N)C[n+]1[nH]cnc1 | 14 |
| 2wd3_ligand_2_7.mol2 | 2wd3 | 0.483871 | -5.82 | [nH]1cn[n+](c1)Cc1ccc(cc1)C#N | 14 |
| 4mep_ligand_1_2.mol2 | 4mep | 0.473684 | -5.94 | c1(c(cccn1)C)[n+]1c[nH]cn1 | 12 |
| 3c79_ligand_2_0.mol2 | 3c79 | 0.472222 | -7.32 | [n+]1(cc[nH]c1)Cc1ccc(Cl)nc1 | 13 |
100 ,
11
