Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 25th, 2011 |
24 |
Yes
|
Popular Name:
5-methyl-N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(trifluoromethyl)-[1,2,4]t
5-methyl-N-[(6R)-5,6,7,8-tetrahy…
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Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
0.81 |
9.11 |
-17.15 |
1 |
8 |
0 |
86 |
338.297 |
3 |
↓
|
Rings
-
4H-1,2,4-triazole
-
Pyrimidine
-
2,3,4,5-tetrahydropyridine
-
[1,2,4]triazolo[1,5-a]pyrimidine
![[1,2,4]triazolo[1,5-a]pyrimidine](//zinc12.docking.org/img/rings/1393.gif)
-
5,6,7,8-tetrahydro-[1,2,4]triazo…
![5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine](//zinc12.docking.org/img/rings/194391.gif)
-
5,6,7,8-tetrahydro-[1,2,4]triazo…
![5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amine](//zinc12.docking.org/img/rings/339043.gif)
No pre-computed analogs available. Try a structural similarity search.
![[1,2,4]triazolo[1,5-a]pyrimidine](http://zinc12.docking.org/img/rings/1393.gif)
![5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine](http://zinc12.docking.org/img/rings/194391.gif)
![5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amine](http://zinc12.docking.org/img/rings/339043.gif)