Common name
pyrazin-2-ylmethanamine
IUPAC name
pyrazin-2-ylmethanamine
SMILES
c1ncc(nc1)CN
Common name
pyrazin-2-ylmethanamine
IUPAC name
pyrazin-2-ylmethanamine
SMILES
c1ncc(nc1)CN
INCHI
InChI=1S/C5H7N3/c6-3-5-4-7-1-2-8-5/h1-2,4H,3,6H2
FORMULA
C5H7N3
Common name
pyrazin-2-ylmethanamine
IUPAC name
pyrazin-2-ylmethanamine
Molecular weight
109.129
clogP
0.553
clogS
-1.179
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
51.8
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02231 | pyrafluprole |
|
Insecticide | Insecticide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qy1_ligand_1_0.mol2 | 1qy1 | 0.6875 | -6.09 | n1c(cncc1)C | 7 |
| 2nnd_ligand_1_0.mol2 | 2nnd | 0.6875 | -6.08 | n1c(cncc1)C | 7 |
| 1dzk_ligand_1_0.mol2 | 1dzk | 0.6875 | -5.96 | n1ccncc1C | 7 |
| 2psj_ligand_1_3.mol2 | 2psj | 0.6875 | -5.55 | c1c(nccn1)C | 7 |
132 ,
14
