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

C19H29N2O3Y- — CID 160942254

IUPACcarbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
SMILESCC.CCc1nn(CCOC)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y]
InChIInChI=1S/C16H20N2O3.C2H6.CH3.Y/c1-4-13-15(19)14(12-8-6-5-7-11(12)2)16(20)18(17-13)9-10-21-3;1-2;;/h5-8,19H,4,9-10H2,1-3H3;1-2H3;1H3;/q;;-1;
InChIKeyRYNNACGUNFWGLD-UHFFFAOYSA-N
MW422.36 g/mol
LogP3.61
Rot. Bonds5

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

carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium (PubChem CID 160942254) has the molecular formula C19H29N2O3Y- and a molecular weight of 422.36 g/mol. Its IUPAC name is carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
PubChem CID160942254
Molecular FormulaC19H29N2O3Y-
Molecular Weight422.36 g/mol
Exact Mass422.12
IUPAC Namecarbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
SMILESCC.CCc1nn(CCOC)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y]
InChIInChI=1S/C16H20N2O3.C2H6.CH3.Y/c1-4-13-15(19)14(12-8-6-5-7-11(12)2)16(20)18(17-13)9-10-21-3;1-2;;/h5-8,19H,4,9-10H2,1-3H3;1-2H3;1H3;/q;;-1;
InChIKeyRYNNACGUNFWGLD-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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;2-[(3-chlorophenyl)methyl]-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159206406
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
2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
CID 58092178
carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 162224604
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
CID 59400751
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
carbanide;2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324
carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
CID 158470656
5-but-3-yn-2-yloxy-2,6-diethyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 159540317

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The IUPAC name of carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium (CID 160942254) is carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium.
What is the SMILES notation for carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The canonical SMILES for carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium is CC.CCc1nn(CCOC)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium?
The InChIKey is RYNNACGUNFWGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.C2H6.CH3.Y/c1-4-13-15(19)14(12-8-6-5-7-11(12)2)16(20)18(17-13)9-10-21-3;1-2;;/h5-8,19H,4,9-10H2,1-3H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium?
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium has a molecular weight of 422.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium is sourced from PubChem (CID 160942254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).