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

C18H25F2N2O2Y- — CID 162070584

IUPACcarbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
SMILESCC.CCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y]
InChIInChI=1S/C15H16F2N2O2.C2H6.CH3.Y/c1-3-11-14(20)13(10-7-5-4-6-9(10)2)15(21)19(18-11)8-12(16)17;1-2;;/h4-7,12,20H,3,8H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeySJVRSNVPBKLKQZ-UHFFFAOYSA-N
MW428.31 g/mol
LogP4.23
Rot. Bonds4

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

carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium (PubChem CID 162070584) has the molecular formula C18H25F2N2O2Y- and a molecular weight of 428.31 g/mol. Its IUPAC name is carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
PubChem CID162070584
Molecular FormulaC18H25F2N2O2Y-
Molecular Weight428.31 g/mol
Exact Mass428.09
IUPAC Namecarbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
SMILESCC.CCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y]
InChIInChI=1S/C15H16F2N2O2.C2H6.CH3.Y/c1-3-11-14(20)13(10-7-5-4-6-9(10)2)15(21)19(18-11)8-12(16)17;1-2;;/h4-7,12,20H,3,8H2,1-2H3;1-2H3;1H3;/q;;-1;
InChIKeySJVRSNVPBKLKQZ-UHFFFAOYSA-N
XLogP4.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The IUPAC name of carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium (CID 162070584) is carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium.
What is the SMILES notation for carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The canonical SMILES for carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium is CC.CCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O.[CH3-].[Y].
What is the InChIKey of carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
The InChIKey is SJVRSNVPBKLKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2.C2H6.CH3.Y/c1-3-11-14(20)13(10-7-5-4-6-9(10)2)15(21)19(18-11)8-12(16)17;1-2;;/h4-7,12,20H,3,8H2,1-2H3;1-2H3;1H3;/q;;-1;.
What are the key properties of carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium?
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium has a molecular weight of 428.31 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium is sourced from PubChem (CID 162070584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).