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

C24H30ClN2O2Y- — CID 161155208

IUPACcarbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
SMILESCC.CCCc1nn(Cc2cccc(Cl)c2)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y]
InChIInChI=1S/C21H21ClN2O2.C2H6.CH3.Y/c1-3-7-18-20(25)19(17-11-5-4-8-14(17)2)21(26)24(23-18)13-15-9-6-10-16(22)12-15;1-2;;/h4-6,8-12,25H,3,7,13H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyHCNCPPWSARIFBI-UHFFFAOYSA-N
MW502.88 g/mol
LogP6.05
Rot. Bonds5

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

carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium (PubChem CID 161155208) has the molecular formula C24H30ClN2O2Y- and a molecular weight of 502.88 g/mol. Its IUPAC name is carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
PubChem CID161155208
Molecular FormulaC24H30ClN2O2Y-
Molecular Weight502.88 g/mol
Exact Mass502.11
IUPAC Namecarbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium
SMILESCC.CCCc1nn(Cc2cccc(Cl)c2)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y]
InChIInChI=1S/C21H21ClN2O2.C2H6.CH3.Y/c1-3-7-18-20(25)19(17-11-5-4-8-14(17)2)21(26)24(23-18)13-15-9-6-10-16(22)12-15;1-2;;/h4-6,8-12,25H,3,7,13H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeyHCNCPPWSARIFBI-UHFFFAOYSA-N
XLogP6.05
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 ≤ 56.05
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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Frequently Asked Questions

What is the IUPAC name of carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium?
The IUPAC name of carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium (CID 161155208) is carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium.
What is the SMILES notation for carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium?
The canonical SMILES for carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium is CC.CCCc1nn(Cc2cccc(Cl)c2)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y].
What is the InChIKey of carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium?
The InChIKey is HCNCPPWSARIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2.C2H6.CH3.Y/c1-3-7-18-20(25)19(17-11-5-4-8-14(17)2)21(26)24(23-18)13-15-9-6-10-16(22)12-15;1-2;;/h4-6,8-12,25H,3,7,13H2,1-2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium?
carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium has a molecular weight of 502.88 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-[(3-chlorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)-6-propylpyridazin-3-one;ethane;yttrium is sourced from PubChem (CID 161155208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).