Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 28th, 2011 |
22 |
Yes
|
Popular Name:
(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4,5,6,7-tetrahydrobenzothiophen-3-yl)me
(3-ethyl-6,8-dihydro-5H-[1,2,4]t…
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SMILES
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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)
|
1.22 |
9.09 |
-14.08 |
0 |
5 |
0 |
51 |
316.43 |
2 |
↓
|
Rings
-
4H-1,2,4-triazole
-
Thiophene
-
1,2,3,6-tetrahydropyrazine
-
Cyclohexene
-
5,6,7,8-tetrahydro-[1,2,4]triazo…
![5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine](//zinc12.docking.org/img/rings/20261.gif)
-
4,5,6,7-tetrahydrobenzothiophene
-
6,8-dihydro-5H-[1,2,4]triazolo[4…
![6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone](//zinc12.docking.org/img/rings/351493.gif)
No pre-computed analogs available. Try a structural similarity search.
![5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine](http://zinc12.docking.org/img/rings/20261.gif)
![6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone](http://zinc12.docking.org/img/rings/351493.gif)