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

C24H30ClN2O2Y- — CID 159662933

IUPACcarbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
SMILESCC.CCn1nc(CCc2ccccc2Cl)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y]
InChIInChI=1S/C21H21ClN2O2.C2H6.CH3.Y/c1-3-24-21(26)19(16-10-6-4-8-14(16)2)20(25)18(23-24)13-12-15-9-5-7-11-17(15)22;1-2;;/h4-11,25H,3,12-13H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyNMWDJAXOERKLMB-UHFFFAOYSA-N
MW502.88 g/mol
LogP5.86
Rot. Bonds5

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

carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium (PubChem CID 159662933) has the molecular formula C24H30ClN2O2Y- and a molecular weight of 502.88 g/mol. Its IUPAC name is carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
PubChem CID159662933
Molecular FormulaC24H30ClN2O2Y-
Molecular Weight502.88 g/mol
Exact Mass502.11
IUPAC Namecarbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
SMILESCC.CCn1nc(CCc2ccccc2Cl)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y]
InChIInChI=1S/C21H21ClN2O2.C2H6.CH3.Y/c1-3-24-21(26)19(16-10-6-4-8-14(16)2)20(25)18(23-24)13-12-15-9-5-7-11-17(15)22;1-2;;/h4-11,25H,3,12-13H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyNMWDJAXOERKLMB-UHFFFAOYSA-N
XLogP5.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.88
LogP ≤ 55.86
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;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
CID 158470656
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
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-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
2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400764
5-but-3-yn-2-yloxy-2,6-diethyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 159540317
carbanide;2-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one;ethane;yttrium
CID 159948341

Frequently Asked Questions

What is the IUPAC name of carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The IUPAC name of carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium (CID 159662933) is carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium.
What is the SMILES notation for carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The canonical SMILES for carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium is CC.CCn1nc(CCc2ccccc2Cl)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y].
What is the InChIKey of carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The InChIKey is NMWDJAXOERKLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2.C2H6.CH3.Y/c1-3-24-21(26)19(16-10-6-4-8-14(16)2)20(25)18(23-24)13-12-15-9-5-7-11-17(15)22;1-2;;/h4-11,25H,3,12-13H2,1-2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium has a molecular weight of 502.88 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium is sourced from PubChem (CID 159662933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).