Responsive image

Common name

5-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine

IUPAC name

5-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine

SMILES

n1(ncnc1C)Cc2cnc(cc2)c3ccccc3

Common name

5-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine

IUPAC name

5-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine

SMILES

n1(ncnc1C)Cc2cnc(cc2)c3ccccc3

INCHI

InChI=1S/C15H14N4/c1-12-17-11-18-19(12)10-13-7-8-15(16-9-13)14-5-3-2-4-6-14/h2-9,11H,10H2,1H3

FORMULA

C15H14N4

Responsive image

Common name

5-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine

IUPAC name

5-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-phenyl-pyridine





Molecular weight

251.306

clogP

1.642

clogS

-4.137

Frequency

0.0003





HBond Acceptor

2

HBond Donor

1

Total Polar
Surface Area

45.45

Number of Rings

3

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01145 Forasartan Responsive image Angiotensin Receptor Antagonists; Angiotensin II Receptor Antagonists; For the treatment of hypertension.
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
5aix_ligand_2_5.mol2 5aix 0.561404 -7.96 c1cccc(c1)c1ccc(C(=O)N)cn1 15
3iph_ligand_2_1.mol2 3iph 0.533333 -8.33 c1(ccccc1C)c1ccc(cn1)C(=O)N 16
2c5y_ligand_3_0.mol2 2c5y 0.523438 -7.89 c1(ncncc1)c1cc(ccc1)C[n+]1c[nH]cn1 18
2c5x_ligand_3_0.mol2 2c5x 0.523438 -7.75 c1(cc(ccc1)c1ncncc1)C[n+]1c[nH]cn1 18
3n4c_ligand_1_2.mol2 3n4c 0.496183 -6.65 c12c([n+](c[nH]1)C)cc(nc2)c1ccccc1 16
4i8x_ligand.mol2 4i8x 0.491525 -7.38 c1(ccccc1)c1ncc(cc1)C(=O)O 16
4ejn_ligand_3_19.mol2 4ejn 0.489362 -8.78 Cc1ccc(cc1)[n+]1c2c(ccc(c3ccccc3)n2)[nH]c1 22
5aix_ligand_4_10.mol2 5aix 0.489209 -8.76 c1cccc(c1)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)CC2)cn1 22
3n4c_ligand_2_7.mol2 3n4c 0.485507 -6.60 c12c([n+](c[nH]1)C)cc(nc2)c1ccc(cc1)O 17
4ejn_ligand_2_7.mol2 4ejn 0.48227 -8.55 c1(ccccc1)[n+]1c2c(ccc(c3ccccc3)n2)[nH]c1 21
100 , 11