General Information of the Compound
| Compound ID |
CP0485897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
Show/Hide
|
||||||||||||||||||
| Synonyms |
496955-70-5
9-Methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine
9H-Purin-6-amine, 9-methyl-8-(2H-1,2,3-triazol-2-yl)-
BDBM50176057
CHEMBL194728
SCHEMBL4462539
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C8H8N8
|
||||||||||||||||||
| Molecular Weight |
216.208
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(nc2c(N)ncnc12)-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C8H8N8/c1-15-7-5(6(9)10-4-11-7)14-8(15)16-12-2-3-13-16/h2-4H,1H3,(H2,9,10,11)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTJZVOMEMRNYKF-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Clinical Information about the Compound