carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium

C18H27N2O3Y- — CID 162224604

IUPACcarbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
SMILESCC.CCOCCn1ncc(O)c(-c2ccccc2C)c1=O.[CH3-].[Y]
InChIInChI=1S/C15H18N2O3.C2H6.CH3.Y/c1-3-20-9-8-17-15(19)14(13(18)10-16-17)12-7-5-4-6-11(12)2;1-2;;/h4-7,10,18H,3,8-9H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyAFOCKEYSVIEPPK-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.43
Rot. Bonds5

About carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium

carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium (PubChem CID 162224604) has the molecular formula C18H27N2O3Y- and a molecular weight of 408.33 g/mol. Its IUPAC name is carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
PubChem CID162224604
Molecular FormulaC18H27N2O3Y-
Molecular Weight408.33 g/mol
Exact Mass408.11
IUPAC Namecarbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
SMILESCC.CCOCCn1ncc(O)c(-c2ccccc2C)c1=O.[CH3-].[Y]
InChIInChI=1S/C15H18N2O3.C2H6.CH3.Y/c1-3-20-9-8-17-15(19)14(13(18)10-16-17)12-7-5-4-6-11(12)2;1-2;;/h4-7,10,18H,3,8-9H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyAFOCKEYSVIEPPK-UHFFFAOYSA-N
XLogP3.43
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 160587590
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159662933
2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400784
2-ethyl-5-methoxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092133
5-but-2-ynoxy-2-ethyl-6-methyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 158077731
ethane;2-(2-methylphenyl)phenol;propane
CID 142042568
2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
CID 58092178
5-but-2-ynoxy-2,6-diethyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 159837620

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The IUPAC name of carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium (CID 162224604) is carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium.
What is the SMILES notation for carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The canonical SMILES for carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium is CC.CCOCCn1ncc(O)c(-c2ccccc2C)c1=O.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The InChIKey is AFOCKEYSVIEPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3.C2H6.CH3.Y/c1-3-20-9-8-17-15(19)14(13(18)10-16-17)12-7-5-4-6-11(12)2;1-2;;/h4-7,10,18H,3,8-9H2,1-2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium?
carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium has a molecular weight of 408.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium is sourced from PubChem (CID 162224604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).