2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one

C18H24N2O2 — CID 82447051

IUPAC2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
SMILESCCCCn1nc(-c2ccc(C)cc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C18H24N2O2/c1-5-6-11-20-17(21)15(18(3,4)22)12-16(19-20)14-9-7-13(2)8-10-14/h7-10,12,22H,5-6,11H2,1-4H3
InChIKeyLGOPITOLNUCCFC-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.25
Rot. Bonds5

About 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one

2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 82447051) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
PubChem CID82447051
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one
SMILESCCCCn1nc(-c2ccc(C)cc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C18H24N2O2/c1-5-6-11-20-17(21)15(18(3,4)22)12-16(19-20)14-9-7-13(2)8-10-14/h7-10,12,22H,5-6,11H2,1-4H3
InChIKeyLGOPITOLNUCCFC-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
CID 82446598
2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82444919
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444384
2-butyl-3-oxo-6-phenylpyridazine-4-carbothioamide
CID 82447022
6-(3-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445060
2-butyl-6-(4-ethoxyphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447187
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbaldehyde
CID 82447089
2-butyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447059
2-butyl-6-(3,4-dimethylphenyl)-3-oxopyridazine-4-carbonitrile
CID 82447088
2-butyl-6-(4-methoxyphenyl)-4-(sulfanylmethyl)pyridazin-3-one
CID 82447182
(E)-3-[6-(4-methylphenyl)-3-oxo-2-propylpyridazin-4-yl]prop-2-enoic acid
CID 82446627

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one (CID 82447051) is 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one is CCCCn1nc(-c2ccc(C)cc2)cc(C(C)(C)O)c1=O.
What is the InChIKey of 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is LGOPITOLNUCCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-6-11-20-17(21)15(18(3,4)22)12-16(19-20)14-9-7-13(2)8-10-14/h7-10,12,22H,5-6,11H2,1-4H3.
What are the key properties of 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one?
2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 300.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 82447051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).