| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2012 | 10 | Yes |
Popular Name: 3-Amino-6-(aminomethyl)-1,2,4-triazin-5(4H)-one acetate 3-Amino-6-(aminomethyl)-1,2,4-tr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1003-68-5 , 1236162-31-4 , 1353100-80-7 , [1353100-80-7]
3-Amino-6-(aminomethyl)-1,2,4-triazin-5(4h)-one DiHCl
3-Amino-6-(aminomethyl)-1,2,4-triazin-5(4H)-one dihydrochloride
3-Amino-6-(aminomethyl)-1,2,4-triazin-5(4H)-oneacetate
3-Amino-6-(aminomethyl)-1,2,4-triazin-5(4H)-oneDihydrochloride
| 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) | -1.63 | -3.11 | -52.73 | 6 | 6 | 1 | 112 | 142.142 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.85 | 12.14 | -48.38 | 1 | 5 | 1 | 46 | 438.514 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.17 | -4.91 | -38.75 | 4 | 6 | -1 | 114 | 140.126 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.63 | -2.17 | -42.35 | 6 | 6 | 1 | 112 | 142.142 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.17 | -4.51 | -38.42 | 5 | 6 | 0 | 115 | 141.134 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.