6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one

C17H22N2O2 — CID 82105416

IUPAC6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(-c2ccc(C(C)C)c(O)c2)ccc1=O
InChIInChI=1S/C17H22N2O2/c1-11(2)10-19-17(21)8-7-15(18-19)13-5-6-14(12(3)4)16(20)9-13/h5-9,11-12,20H,10H2,1-4H3
InChIKeyCWHPWSIQYUPPCO-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.40
Rot. Bonds4

About 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one

6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82105416) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82105416
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1nc(-c2ccc(C(C)C)c(O)c2)ccc1=O
InChIInChI=1S/C17H22N2O2/c1-11(2)10-19-17(21)8-7-15(18-19)13-5-6-14(12(3)4)16(20)9-13/h5-9,11-12,20H,10H2,1-4H3
InChIKeyCWHPWSIQYUPPCO-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-amino-4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82105345
6-(3-hydroxy-4-methylphenyl)-2-propylpyridazin-3-one
CID 82105402
2-ethyl-6-(4-fluoro-3-hydroxyphenyl)pyridazin-3-one
CID 82105419
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 27266322
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
1-(2-methylpropyl)-6-oxopyridazine-3-carbaldehyde
CID 82442319
2-[(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 94744429
methyl 6-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 12971765
2-(2-methylpropyl)-3-oxo-6-phenylpyridazine-4-carbonyl chloride
CID 82447273
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448
2-(3-aminopropyl)-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 82036682
2-(2-methylpropyl)-6-(4-propyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridazin-3-one
CID 82442359

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82105416) is 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1nc(-c2ccc(C(C)C)c(O)c2)ccc1=O.
What is the InChIKey of 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is CWHPWSIQYUPPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)10-19-17(21)8-7-15(18-19)13-5-6-14(12(3)4)16(20)9-13/h5-9,11-12,20H,10H2,1-4H3.
What are the key properties of 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 286.38 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-propan-2-ylphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82105416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).