| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2011 | 15 | Yes |
Popular Name: 5-Piperazin-1-yl[1,2,4]triazolo[4,3-a]pyrimidine dihydrochloride 5-Piperazin-1-yl[1,2,4]triazolo[…
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CAS Numbers: , 1332528-94-5
1,2,4-triazolo[4,3-a]pyrimidine, 5-(1-piperazinyl)-, dihydrochloride
5-(1-piperazinyl)[1,2,4]triazolo[4,3-a]pyrimidine
5-(1-piperazinyl)[1,2,4]triazolo[4,3-a]pyrimidine dihydrochloride
5-Piperazin-1-yl[1,2,4]triazolo[4,3-a]pyrimidinedihydrochloride
| 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) | -0.64 | 7.26 | -64.17 | 2 | 6 | 1 | 63 | 205.245 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.64 | 5.94 | -14.02 | 1 | 6 | 0 | 58 | 204.237 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
![[1,2,4]triazolo[4,3-a]pyrimidine](http://zinc12.docking.org/img/rings/2180.gif)
![5-piperazino-[1,2,4]triazolo[4,3-a]pyrimidine](http://zinc12.docking.org/img/rings/286903.gif)