TL;DR: 2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl- (CAS 116610-80-1) is a chemical compound with molecular formula C14H13N3O2 and molecular weight 255.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)-1H-indol-2-one
Also Known As: Dehydroindolidan, 3,3-dimethyl-5-(6-oxo-1H-pyridazin-3-yl)-1H-indol-2-one, 2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl-, 5-(6-hydroxypyridazin-3-yl)-3,3-dimethyl-1,3-dihydro-2h-indol-2-one, 2H-Indol-2-one,5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H13N3O2 |
| Molecular Weight | 255.10077 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.10077 Da |
| Heavy Atoms | 19 |
| Complexity | 493.0 |
| SMILES | CC1(C2=C(C=CC(=C2)C3=NNC(=O)C=C3)NC1=O)C |
| InChIKey | XYUOWTGQHOUXIO-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl-. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl-. Following Lipinski's Rule of Five, 2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl- is 116610-80-1.
The molecular formula of 2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl- is C14H13N3O2.
The molecular weight of 2H-Indol-2-one, 5-(1,6-dihydro-6-oxo-3-pyridazinyl)-1,3-dihydro-3,3-dimethyl- is 255.10077 g/mol.
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