General Information of the Compound
| Compound ID |
CP0406387
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(6-Methyl-pyridin-2-yl)-[1,2,4]triazinan-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H12N4O
|
||||||||||||||||||
| Molecular Weight |
192.222
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(n1)N1CCNC(=O)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H12N4O/c1-7-3-2-4-8(11-7)13-6-5-10-9(14)12-13/h2-4H,5-6H2,1H3,(H2,10,12,14)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZLJPUOWANDADP-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound