4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one

C9H14N2O2 — CID 71607385

IUPAC4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one
SMILESCC(C)(C)COc1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)6-13-7-4-8(12)11-10-5-7/h4-5H,6H2,1-3H3,(H,11,12)
InChIKeyCBOXNQQTQGOSQZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.19
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one

4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one (PubChem CID 71607385) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one
PubChem CID71607385
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one
SMILESCC(C)(C)COc1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O2/c1-9(2,3)6-13-7-4-8(12)11-10-5-7/h4-5H,6H2,1-3H3,(H,11,12)
InChIKeyCBOXNQQTQGOSQZ-UHFFFAOYSA-N
XLogP1.19
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methoxy-2,3-dihydropyridazin-3-one
CID 820664
5-ethoxypyridazin-3(2H)-one
CID 13103638
5-(2,2,2-trifluoroethoxy)pyridazin-3(2H)-one
CID 71607370
5-(2-fluoroethoxy)pyridazin-3(2H)-one
CID 71607373
5-(3,3,3-trifluoropropoxy)pyridazin-3(2H)-one
CID 71607378
5-(2,2-Difluoroethoxy)pyridazin-3(2H)-one
CID 103241908
4-(4,4,4-trifluorobutoxy)-1H-pyridazin-6-one
CID 103241920
5-cyclobutoxypyridazin-3(2H)-one
CID 71607390
5-isopropoxypyridazin-3(2H)-one
CID 71607394
5-(cyclopentyloxy)pyridazin-3(2H)-one
CID 71607455
ethane;4-methoxy-1H-pyridazin-6-one
CID 143928261
4-methoxy-1H-pyridazin-6-one;hydrochloride
CID 162463325

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one?
The IUPAC name of 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one (CID 71607385) is 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one is CC(C)(C)COc1cn[nH]c(=O)c1.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one?
The InChIKey is CBOXNQQTQGOSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,3)6-13-7-4-8(12)11-10-5-7/h4-5H,6H2,1-3H3,(H,11,12).
What are the key properties of 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one?
4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one has a molecular weight of 182.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-1H-pyridazin-6-one is sourced from PubChem (CID 71607385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).