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

C17H21FN2O2 — CID 82447358

IUPAC6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(-c2ccc(F)cc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C17H21FN2O2/c1-11(2)10-20-16(21)14(17(3,4)22)9-15(19-20)12-5-7-13(18)8-6-12/h5-9,11,22H,10H2,1-4H3
InChIKeySACYEFQIEDOFPU-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.93
Rot. Bonds4

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

6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82447358) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82447358
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(-c2ccc(F)cc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C17H21FN2O2/c1-11(2)10-20-16(21)14(17(3,4)22)9-15(19-20)12-5-7-13(18)8-6-12/h5-9,11,22H,10H2,1-4H3
InChIKeySACYEFQIEDOFPU-UHFFFAOYSA-N
XLogP2.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one (CID 82447358) is 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1nc(-c2ccc(F)cc2)cc(C(C)(C)O)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is SACYEFQIEDOFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-11(2)10-20-16(21)14(17(3,4)22)9-15(19-20)12-5-7-13(18)8-6-12/h5-9,11,22H,10H2,1-4H3.
What are the key properties of 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one?
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 304.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82447358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).