2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one

C15H17FN2O2 — CID 82444919

IUPAC2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(F)cc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C15H17FN2O2/c1-4-18-14(19)12(15(2,3)20)9-13(17-18)10-5-7-11(16)8-6-10/h5-9,20H,4H2,1-3H3
InChIKeyMXXNKQLMNXWSSE-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.30
Rot. Bonds3

About 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one

2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one (PubChem CID 82444919) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
PubChem CID82444919
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(F)cc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C15H17FN2O2/c1-4-18-14(19)12(15(2,3)20)9-13(17-18)10-5-7-11(16)8-6-10/h5-9,20H,4H2,1-3H3
InChIKeyMXXNKQLMNXWSSE-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
CID 82447051
6-(3-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445060
4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
CID 82446598
6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445000
2-ethyl-4-(2-hydroxypropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 82445328
4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 82445115
1-ethyl-3-(4-fluorophenyl)-N-(trifluoromethyl)pyrazole-5-carboxamide
CID 174832324
6-(4-fluorophenyl)-8-(2-hydroxypropan-2-yl)imidazo[1,2-b]pyridazine-2-carbaldehyde
CID 144817332
4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444384
6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446742
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbonitrile
CID 82446730

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one (CID 82444919) is 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one is CCn1nc(-c2ccc(F)cc2)cc(C(C)(C)O)c1=O.
What is the InChIKey of 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one?
The InChIKey is MXXNKQLMNXWSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-4-18-14(19)12(15(2,3)20)9-13(17-18)10-5-7-11(16)8-6-10/h5-9,20H,4H2,1-3H3.
What are the key properties of 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one?
2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one has a molecular weight of 276.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 82444919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).