3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine

C25H36N2 — CID 139778718

IUPAC3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
SMILESCCCCCCc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C25H36N2/c1-3-4-5-6-7-21-12-15-23(16-13-21)25-19-18-24(26-27-25)17-14-22-10-8-20(2)9-11-22/h12-13,15-16,18-20,22H,3-11,14,17H2,1-2H3
InChIKeyBFIZIOSDZMVLJD-UHFFFAOYSA-N
MW364.58 g/mol
LogP7.03
Rot. Bonds9

About 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine

3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine (PubChem CID 139778718) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
PubChem CID139778718
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC Name3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
SMILESCCCCCCc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C25H36N2/c1-3-4-5-6-7-21-12-15-23(16-13-21)25-19-18-24(26-27-25)17-14-22-10-8-20(2)9-11-22/h12-13,15-16,18-20,22H,3-11,14,17H2,1-2H3
InChIKeyBFIZIOSDZMVLJD-UHFFFAOYSA-N
XLogP7.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747
3-[2-(4-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778999
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778646
3-(4-decylphenyl)-6-propylpyridazine
CID 13360938
3-(4-hexoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139779161
3-[2-(4-ethylcyclohexyl)ethyl]-6-(4-heptoxyphenyl)pyridazine
CID 139778846
3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778924
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
CID 139779119
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine (CID 139778718) is 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine is CCCCCCc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1.
What is the InChIKey of 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The InChIKey is BFIZIOSDZMVLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2/c1-3-4-5-6-7-21-12-15-23(16-13-21)25-19-18-24(26-27-25)17-14-22-10-8-20(2)9-11-22/h12-13,15-16,18-20,22H,3-11,14,17H2,1-2H3.
What are the key properties of 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine has a molecular weight of 364.58 g/mol, XLogP of 7.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139778718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).