3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine

C25H36N2O — CID 139778924

IUPAC3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
SMILESCCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)nn2)cc1
InChIInChI=1S/C25H36N2O/c1-3-5-19-28-24-16-12-22(13-17-24)25-18-15-23(26-27-25)14-11-21-9-7-20(6-4-2)8-10-21/h12-13,15-18,20-21H,3-11,14,19H2,1-2H3
InChIKeyCBHBSSJAHLNDII-UHFFFAOYSA-N
MW380.58 g/mol
LogP6.86
Rot. Bonds10

About 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine

3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine (PubChem CID 139778924) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
PubChem CID139778924
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
SMILESCCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)nn2)cc1
InChIInChI=1S/C25H36N2O/c1-3-5-19-28-24-16-12-22(13-17-24)25-18-15-23(26-27-25)14-11-21-9-7-20(6-4-2)8-10-21/h12-13,15-18,20-21H,3-11,14,19H2,1-2H3
InChIKeyCBHBSSJAHLNDII-UHFFFAOYSA-N
XLogP6.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hexoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139779161
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778646
3-[2-(4-ethylcyclohexyl)ethyl]-6-(4-heptoxyphenyl)pyridazine
CID 139778846
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
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-(3-fluoro-4-methylphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778851
3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778718
3-(2-fluoro-4-propoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139778926
3-(4-butoxy-2-fluorophenyl)-6-[2-(4-pentylcyclohexyl)ethyl]pyridazine
CID 139779121
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine (CID 139778924) is 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine is CCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)nn2)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
The InChIKey is CBHBSSJAHLNDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O/c1-3-5-19-28-24-16-12-22(13-17-24)25-18-15-23(26-27-25)14-11-21-9-7-20(6-4-2)8-10-21/h12-13,15-18,20-21H,3-11,14,19H2,1-2H3.
What are the key properties of 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine?
3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine has a molecular weight of 380.58 g/mol, XLogP of 6.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139778924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).