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

C23H28ClN2O2Y- — CID 159206406

IUPACcarbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
SMILESCC.CCc1nn(Cc2cccc(Cl)c2)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y]
InChIInChI=1S/C20H19ClN2O2.C2H6.CH3.Y/c1-3-17-19(24)18(16-10-5-4-7-13(16)2)20(25)23(22-17)12-14-8-6-9-15(21)11-14;1-2;;/h4-11,24H,3,12H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyUCUYXXPJEIOTHE-UHFFFAOYSA-N
MW488.85 g/mol
LogP5.66
Rot. Bonds4

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

carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium (PubChem CID 159206406) has the molecular formula C23H28ClN2O2Y- and a molecular weight of 488.85 g/mol. Its IUPAC name is carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
PubChem CID159206406
Molecular FormulaC23H28ClN2O2Y-
Molecular Weight488.85 g/mol
Exact Mass488.09
IUPAC Namecarbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
SMILESCC.CCc1nn(Cc2cccc(Cl)c2)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y]
InChIInChI=1S/C20H19ClN2O2.C2H6.CH3.Y/c1-3-17-19(24)18(16-10-5-4-7-13(16)2)20(25)23(22-17)12-14-8-6-9-15(21)11-14;1-2;;/h4-11,24H,3,12H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyUCUYXXPJEIOTHE-UHFFFAOYSA-N
XLogP5.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.85
LogP ≤ 55.66
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

carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
6-[2-(4-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400732
carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
CID 158470656
2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400764
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
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
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
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;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The IUPAC name of carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium (CID 159206406) is carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium.
What is the SMILES notation for carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The canonical SMILES for carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium is CC.CCc1nn(Cc2cccc(Cl)c2)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y].
What is the InChIKey of carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The InChIKey is UCUYXXPJEIOTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2.C2H6.CH3.Y/c1-3-17-19(24)18(16-10-5-4-7-13(16)2)20(25)23(22-17)12-14-8-6-9-15(21)11-14;1-2;;/h4-11,24H,3,12H2,1-2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium has a molecular weight of 488.85 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium is sourced from PubChem (CID 159206406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).