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

C19H27N2O2Y- — CID 160587590

IUPACcarbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
SMILESCC.Cc1ccccc1-c1c(O)c(C)nn(CC2CC2)c1=O.[CH3-].[Y]
InChIInChI=1S/C16H18N2O2.C2H6.CH3.Y/c1-10-5-3-4-6-13(10)14-15(19)11(2)17-18(16(14)20)9-12-7-8-12;1-2;;/h3-6,12,19H,7-9H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyMILWMOYAHCIJAO-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.12
Rot. Bonds3

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

carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium (PubChem CID 160587590) has the molecular formula C19H27N2O2Y- and a molecular weight of 404.34 g/mol. Its IUPAC name is carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
PubChem CID160587590
Molecular FormulaC19H27N2O2Y-
Molecular Weight404.34 g/mol
Exact Mass404.11
IUPAC Namecarbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
SMILESCC.Cc1ccccc1-c1c(O)c(C)nn(CC2CC2)c1=O.[CH3-].[Y]
InChIInChI=1S/C16H18N2O2.C2H6.CH3.Y/c1-10-5-3-4-6-13(10)14-15(19)11(2)17-18(16(14)20)9-12-7-8-12;1-2;;/h3-6,12,19H,7-9H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyMILWMOYAHCIJAO-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.12
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

2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400784
6-cyclopropyl-2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400761
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400720
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 59400754
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-cyclobutyl-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
CID 160804324
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
carbanide;ethane;2-(2-ethoxyethyl)-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 162224604
carbanide;6-[2-(2-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 159662933
2-(2,2-difluoroethyl)-5-hydroxy-4-(2-methylphenyl)-6-propan-2-ylpyridazin-3-one
CID 59400696

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The IUPAC name of carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium (CID 160587590) is carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium.
What is the SMILES notation for carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The canonical SMILES for carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium is CC.Cc1ccccc1-c1c(O)c(C)nn(CC2CC2)c1=O.[CH3-].[Y].
What is the InChIKey of carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The InChIKey is MILWMOYAHCIJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.C2H6.CH3.Y/c1-10-5-3-4-6-13(10)14-15(19)11(2)17-18(16(14)20)9-12-7-8-12;1-2;;/h3-6,12,19H,7-9H2,1-2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium has a molecular weight of 404.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(cyclopropylmethyl)-5-hydroxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium is sourced from PubChem (CID 160587590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).