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

C19H29N2O2Y- — CID 159059892

IUPACcarbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
SMILESCC.CCCn1nc(CC)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y]
InChIInChI=1S/C16H20N2O2.C2H6.CH3.Y/c1-4-10-18-16(20)14(15(19)13(5-2)17-18)12-9-7-6-8-11(12)3;1-2;;/h6-9,19H,4-5,10H2,1-3H3;1-2H3;1H3;/q;;-1;
InChIKeyAWLIMRHLFGJTEE-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.37
Rot. Bonds4

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

carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium (PubChem CID 159059892) has the molecular formula C19H29N2O2Y- and a molecular weight of 406.36 g/mol. Its IUPAC name is carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium.

Molecular Properties

Compound Namecarbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
PubChem CID159059892
Molecular FormulaC19H29N2O2Y-
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Namecarbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
SMILESCC.CCCn1nc(CC)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y]
InChIInChI=1S/C16H20N2O2.C2H6.CH3.Y/c1-4-10-18-16(20)14(15(19)13(5-2)17-18)12-9-7-6-8-11(12)3;1-2;;/h6-9,19H,4-5,10H2,1-3H3;1-2H3;1H3;/q;;-1;
InChIKeyAWLIMRHLFGJTEE-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.37
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;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
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
carbanide;2-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 161155208
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
CID 59400751
carbanide;6-[2-(4-chlorophenyl)ethyl]-5-hydroxy-4-(2-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one;ethane;yttrium
CID 158470656
carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 160587590
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

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium?
The IUPAC name of carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium (CID 159059892) is carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium.
What is the SMILES notation for carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium?
The canonical SMILES for carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium is CC.CCCn1nc(CC)c(O)c(-c2ccccc2C)c1=O.[CH3-].[Y].
What is the InChIKey of carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium?
The InChIKey is AWLIMRHLFGJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C2H6.CH3.Y/c1-4-10-18-16(20)14(15(19)13(5-2)17-18)12-9-7-6-8-11(12)3;1-2;;/h6-9,19H,4-5,10H2,1-3H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium?
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium has a molecular weight of 406.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium is sourced from PubChem (CID 159059892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).