C11H14N4O2 — CID 116802649
[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol (PubChem CID 116802649) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol.
| Compound Name | [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol |
|---|---|
| PubChem CID | 116802649 |
| Molecular Formula | C11H14N4O2 |
| Molecular Weight | 234.26 g/mol |
| Exact Mass | 234.11 |
| IUPAC Name | [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol |
| SMILES | CCCn1cc(Oc2ccc(CO)nn2)cn1 |
| InChI | InChI=1S/C11H14N4O2/c1-2-5-15-7-10(6-12-15)17-11-4-3-9(8-16)13-14-11/h3-4,6-7,16H,2,5,8H2,1H3 |
| InChIKey | YMMHSQFFCUILDB-UHFFFAOYSA-N |
| XLogP | 1.37 |
| TPSA | 73.06 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 17 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 234.26 |
| LogP ≤ 5 | 1.37 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |