Common name
2-methylpyrazine
IUPAC name
2-methylpyrazine
SMILES
n1ccnc(c1)C
Common name
2-methylpyrazine
IUPAC name
2-methylpyrazine
SMILES
n1ccnc(c1)C
INCHI
InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
FORMULA
C5H6N2
Common name
2-methylpyrazine
IUPAC name
2-methylpyrazine
Molecular weight
94.115
clogP
1.462
clogS
-1.495
Frequency
0.0010
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
25.78
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00918 | Glipizide |
|
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Blood Glucose Lowering Drugs, Excl. Insulins; Sulfonylureas; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; CYP3A4 Inhibitors; | For use as an adjunct to diet for the control of hyperglycemia and its associated symptomatology in patients with non-insulin-dependent diabetes mellitus (NIDDM; type II), formerly known as maturity-onset diabetes, after an adequate trial of dietary therapy has proved unsatisfactory. |
| FDBD01794 | Paritaprevir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | For use in combination with ombitasvir, ritonavir and dasabuvir for the treatment of HCV genotype 1, and with ombitasvir and ritonavir for the treatment of HCV genotype 4. |
| FDBD02231 | pyrafluprole |
|
Insecticide | Insecticide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qy1_ligand_1_0.mol2 | 1qy1 | 1 | -6.09 | n1c(cncc1)C | 7 |
| 2nnd_ligand_1_0.mol2 | 2nnd | 1 | -6.08 | n1c(cncc1)C | 7 |
| 1dzk_ligand_1_0.mol2 | 1dzk | 1 | -5.96 | n1ccncc1C | 7 |
| 2psj_ligand_1_3.mol2 | 2psj | 1 | -5.55 | c1c(nccn1)C | 7 |
| 1qy2_ligand_1_0.mol2 | 1qy2 | 0.709677 | -6.71 | c1(nccnc1)C(C)C | 9 |
| 2ym7_ligand_frag_5.mol2 | 2ym7 | 0.6875 | -5.85 | c1cnc(cn1)C#N | 8 |
| 2ym8_ligand_frag_1.mol2 | 2ym8 | 0.6875 | -5.83 | c1nc(cnc1)C#N | 8 |
| 2ywp_ligand_frag_0.mol2 | 2ywp | 0.6875 | -5.82 | c1(nccnc1)C#N | 8 |
| 2nnd_ligand_2_1.mol2 | 2nnd | 0.578947 | -6.83 | C(C)(C)Cc1nccnc1 | 10 |
| 1qy1_ligand_2_1.mol2 | 1qy1 | 0.578947 | -6.82 | n1c(cncc1)CC(C)C | 10 |
102 ,
11
