carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium

C26H34ClN2O2Y- — CID 158470656

IUPACcarbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
SMILESCC.Cc1ccccc1-c1c(O)c(CCc2ccc(Cl)cc2)nn(CC(C)C)c1=O.[CH3-].[Y]
InChIInChI=1S/C23H25ClN2O2.C2H6.CH3.Y/c1-15(2)14-26-23(28)21(19-7-5-4-6-16(19)3)22(27)20(25-26)13-10-17-8-11-18(24)12-9-17;1-2;;/h4-9,11-12,15,27H,10,13-14H2,1-3H3;1-2H3;1H3;/q;;-1;
InChIKeyVASDBINGMZGGPK-UHFFFAOYSA-N
MW530.93 g/mol
LogP6.49
Rot. Bonds6

About carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium

carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium (PubChem CID 158470656) has the molecular formula C26H34ClN2O2Y- and a molecular weight of 530.93 g/mol. Its IUPAC name is carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
PubChem CID158470656
Molecular FormulaC26H34ClN2O2Y-
Molecular Weight530.93 g/mol
Exact Mass530.14
IUPAC Namecarbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
SMILESCC.Cc1ccccc1-c1c(O)c(CCc2ccc(Cl)cc2)nn(CC(C)C)c1=O.[CH3-].[Y]
InChIInChI=1S/C23H25ClN2O2.C2H6.CH3.Y/c1-15(2)14-26-23(28)21(19-7-5-4-6-16(19)3)22(27)20(25-26)13-10-17-8-11-18(24)12-9-17;1-2;;/h4-9,11-12,15,27H,10,13-14H2,1-3H3;1-2H3;1H3;/q;;-1;
InChIKeyVASDBINGMZGGPK-UHFFFAOYSA-N
XLogP6.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.93
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-[2-(4-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400732
carbanide;2-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one;ethane;yttrium
CID 159948341
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 59400740
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
CID 59400751
carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159206406
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
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
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
carbanide;2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324

Frequently Asked Questions

What is the IUPAC name of carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium?
The IUPAC name of carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium (CID 158470656) is carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium.
What is the SMILES notation for carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium?
The canonical SMILES for carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium is CC.Cc1ccccc1-c1c(O)c(CCc2ccc(Cl)cc2)nn(CC(C)C)c1=O.[CH3-].[Y].
What is the InChIKey of carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium?
The InChIKey is VASDBINGMZGGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2.C2H6.CH3.Y/c1-15(2)14-26-23(28)21(19-7-5-4-6-16(19)3)22(27)20(25-26)13-10-17-8-11-18(24)12-9-17;1-2;;/h4-9,11-12,15,27H,10,13-14H2,1-3H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium?
carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium has a molecular weight of 530.93 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium is sourced from PubChem (CID 158470656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).