| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 19th, 2008 | 6 | Yes |
Popular Name: 1H-1,2,4-triazol-5-ol 1H-1,2,4-triazol-5-ol
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 122333-32-8 , 42131-33-9 , 930-33-6 , 98-96-4 , [122333-32-8] , [42131-33-9] , [930-33-6]
1,2-dihydro-1,2,4-triazol-3-one
1,2-Dihydro-3H-1,2,4-triazol-3-one
1,2-Dihydro-3H-1,2,4-triazole-3-one
1,2-Dihydro-3H-1,2,4-triazole-3-one; 1H-1,2,4-Triazol-3(2H)-one
2,4-Dihydro-3H-1,2,4-triazol-3-one
| 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) | -0.96 | -0.45 | -10.89 | 2 | 4 | 0 | 62 | 85.066 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0202046A1; EP0203722A1; EP0223937A1; EP0280224A2; EP0280224B1; EP0301877A1; EP0301877B1; EP0327239A1; EP0327239B1; EP0610334A1; EP0610334B1; EP0628556A1; EP0657435A2; EP0657435A3; EP0698015A1; EP0708775A1; EP0708775B1; EP0733033A1; EP0733033B1; EP075194 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0311135B1; EP0751944A1; EP0751944B1; US4859230; US5955481; WO1996011196A1; WO1996026207A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0751944A1; EP0751944B1; EP0889881A1; US5955481; US6153616; WO1995026347A1; WO1996011196A1; WO1996026207A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.