Common name
2-(trifluoromethyl)pyrazine
IUPAC name
2-(trifluoromethyl)pyrazine
SMILES
C(F)(F)(F)c1cnccn1
Common name
2-(trifluoromethyl)pyrazine
IUPAC name
2-(trifluoromethyl)pyrazine
SMILES
C(F)(F)(F)c1cnccn1
INCHI
InChI=1S/C5H3F3N2/c6-5(7,8)4-3-9-1-2-10-4/h1-3H
FORMULA
C5H3F3N2
Common name
2-(trifluoromethyl)pyrazine
IUPAC name
2-(trifluoromethyl)pyrazine
Molecular weight
148.086
clogP
1.940
clogS
-2.064
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
25.78
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02937 | pyraziflumid |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qy1_ligand_1_0.mol2 | 1qy1 | 0.647059 | -6.09 | n1c(cncc1)C | 7 |
| 2nnd_ligand_1_0.mol2 | 2nnd | 0.647059 | -6.08 | n1c(cncc1)C | 7 |
| 1dzk_ligand_1_0.mol2 | 1dzk | 0.647059 | -5.96 | n1ccncc1C | 7 |
| 2psj_ligand_1_3.mol2 | 2psj | 0.647059 | -5.55 | c1c(nccn1)C | 7 |
| 2ym7_ligand_frag_5.mol2 | 2ym7 | 0.534884 | -5.85 | c1cnc(cn1)C#N | 8 |
| 2ym8_ligand_frag_1.mol2 | 2ym8 | 0.534884 | -5.83 | c1nc(cnc1)C#N | 8 |
| 2ywp_ligand_frag_0.mol2 | 2ywp | 0.534884 | -5.82 | c1(nccnc1)C#N | 8 |
| 1qy2_ligand_1_0.mol2 | 1qy2 | 0.511628 | -6.71 | c1(nccnc1)C(C)C | 9 |
| 5ct7_ligand_1_6.mol2 | 5ct7 | 0.488889 | -5.77 | c1[nH+]cc([nH]1)C(F)(F)F | 9 |
132 ,
14
