2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one

C18H22N2O2 — CID 59400785

IUPAC2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C(C)C)nn(C2CCC2)c1=O
InChIInChI=1S/C18H22N2O2/c1-11(2)16-17(21)15(14-10-5-4-7-12(14)3)18(22)20(19-16)13-8-6-9-13/h4-5,7,10-11,13,21H,6,8-9H2,1-3H3
InChIKeyFQNMBUVHWCRCAS-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.77
Rot. Bonds3

About 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one

2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one (PubChem CID 59400785) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
PubChem CID59400785
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
SMILESCc1ccccc1-c1c(O)c(C(C)C)nn(C2CCC2)c1=O
InChIInChI=1S/C18H22N2O2/c1-11(2)16-17(21)15(14-10-5-4-7-12(14)3)18(22)20(19-16)13-8-6-9-13/h4-5,7,10-11,13,21H,6,8-9H2,1-3H3
InChIKeyFQNMBUVHWCRCAS-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

carbanide;2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400720
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 59400754
2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400784
carbanide;2-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one;ethane;yttrium
CID 159948341
6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400761
carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 160587590
4-hydroxy-2,7-dimethyl-5-(2-methylphenyl)pyrazolo[3,4-b]pyridin-6-one
CID 66600147
1-cyclobutyl-5-(2-methylphenyl)triazol-4-amine
CID 105485933
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
CID 59400751
2-cyclopropyl-4-ethyl-7-hydroxy-6-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 66600132

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one (CID 59400785) is 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one is Cc1ccccc1-c1c(O)c(C(C)C)nn(C2CCC2)c1=O.
What is the InChIKey of 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one?
The InChIKey is FQNMBUVHWCRCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11(2)16-17(21)15(14-10-5-4-7-12(14)3)18(22)20(19-16)13-8-6-9-13/h4-5,7,10-11,13,21H,6,8-9H2,1-3H3.
What are the key properties of 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one?
2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one has a molecular weight of 298.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 59400785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).