Common name
3-(1,2,4-triazol-1-ylmethyl)pyridine
IUPAC name
3-(1,2,4-triazol-1-ylmethyl)pyridine
SMILES
n1(ncnc1)Cc2cnccc2
Common name
3-(1,2,4-triazol-1-ylmethyl)pyridine
IUPAC name
3-(1,2,4-triazol-1-ylmethyl)pyridine
SMILES
n1(ncnc1)Cc2cnccc2
INCHI
InChI=1S/C8H8N4/c1-2-8(4-9-3-1)5-12-7-10-6-11-12/h1-4,6-7H,5H2
FORMULA
C8H8N4
Common name
3-(1,2,4-triazol-1-ylmethyl)pyridine
IUPAC name
3-(1,2,4-triazol-1-ylmethyl)pyridine
Molecular weight
161.184
clogP
-0.291
clogS
-1.671
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 |
|---|---|---|---|---|---|
| 3iph_ligand_1_2.mol2 | 3iph | 0.473684 | -6.28 | c1ccc(cn1)C(=O)N | 9 |
| 5aix_ligand_1_2.mol2 | 5aix | 0.473684 | -6.22 | C(=O)(N)c1cccnc1 | 9 |
| 4eh6_ligand_1_1.mol2 | 4eh6 | 0.473684 | -6.19 | c1(cccnc1)C(=O)N | 9 |
| 1rhm_ligand_1_1.mol2 | 1rhm | 0.473684 | -6.10 | c1ccncc1C(=O)N | 9 |
| 3f7u_ligand_1_0.mol2 | 3f7u | 0.473684 | -6.07 | c1(cccnc1)C(=O)N | 9 |
| 3f7b_ligand_1_0.mol2 | 3f7b | 0.473684 | -6.03 | c1(cccnc1)C(=O)N | 9 |
101 ,
11
