1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium

C19H22N3Y- — CID 169277675

IUPAC1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium
SMILESCc1ccccc1-c1c(/N=[C-]/C2CCCCC2)[c-]cn[n+]1C.[Y]
InChIInChI=1S/C19H22N3.Y/c1-15-8-6-7-11-17(15)19-18(12-13-21-22(19)2)20-14-16-9-4-3-5-10-16;/h6-8,11,13,16H,3-5,9-10H2,1-2H3;/q-1;
InChIKeyIMMPXWPLBHEIRE-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.84
Rot. Bonds3

About 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium

1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium (PubChem CID 169277675) has the molecular formula C19H22N3Y- and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium
PubChem CID169277675
Molecular FormulaC19H22N3Y-
Molecular Weight381.31 g/mol
Exact Mass381.09
IUPAC Name1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium
SMILESCc1ccccc1-c1c(/N=[C-]/C2CCCCC2)[c-]cn[n+]1C.[Y]
InChIInChI=1S/C19H22N3.Y/c1-15-8-6-7-11-17(15)19-18(12-13-21-22(19)2)20-14-16-9-4-3-5-10-16;/h6-8,11,13,16H,3-5,9-10H2,1-2H3;/q-1;
InChIKeyIMMPXWPLBHEIRE-UHFFFAOYSA-N
XLogP3.84
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium with MolForge

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Related Compounds

N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium
CID 164937417
5-(1-deuteriocyclohexyl)-1-methyl-6-(2-methylphenyl)pyrimidin-1-ium
CID 140881322
3-cyclohexyl-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881300
1-cyclopentyl-N-[1-methyl-6-(2-methylphenyl)pyrimidin-1-ium-5-yl]methanimine
CID 169277780
N-[1-methyl-6-(2-methylphenyl)-4H-pyrimidin-1-ium-4-id-5-yl]methanimine;yttrium
CID 164937480
3-methyl-4-(2-methylphenyl)benzo[g]quinazolin-3-ium
CID 154594823
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
N-cyclohexyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027868
N-methyl-4-(2-methylphenyl)cyclohex-3-en-1-amine
CID 144957390
8-cyclobutyl-3-methyl-4-(2-methylphenyl)quinazolin-3-ium
CID 123656345
1-cyclohexyl-5-(2-methylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17168589
1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium
CID 172528303

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium?
The IUPAC name of 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium (CID 169277675) is 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium.
What is the SMILES notation for 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium?
The canonical SMILES for 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium is Cc1ccccc1-c1c(/N=[C-]/C2CCCCC2)[c-]cn[n+]1C.[Y].
What is the InChIKey of 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium?
The InChIKey is IMMPXWPLBHEIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N3.Y/c1-15-8-6-7-11-17(15)19-18(12-13-21-22(19)2)20-14-16-9-4-3-5-10-16;/h6-8,11,13,16H,3-5,9-10H2,1-2H3;/q-1;.
What are the key properties of 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium?
1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium has a molecular weight of 381.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-methyl-6-(2-methylphenyl)-4H-pyridazin-1-ium-4-id-5-yl]methanimine;yttrium is sourced from PubChem (CID 169277675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).