3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine

C23H32N2O — CID 139778550

IUPAC3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
SMILESCCCCC1CCC(CCc2ccc(-c3ccc(OC)nn3)cc2)CC1
InChIInChI=1S/C23H32N2O/c1-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)22-16-17-23(26-2)25-24-22/h12-19H,3-11H2,1-2H3
InChIKeyOEMVGHHJZWPMAY-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.08
Rot. Bonds8

About 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine

3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine (PubChem CID 139778550) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
PubChem CID139778550
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
SMILESCCCCC1CCC(CCc2ccc(-c3ccc(OC)nn3)cc2)CC1
InChIInChI=1S/C23H32N2O/c1-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)22-16-17-23(26-2)25-24-22/h12-19H,3-11H2,1-2H3
InChIKeyOEMVGHHJZWPMAY-UHFFFAOYSA-N
XLogP6.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine 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-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-6-heptoxypyridazine
CID 15085080
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747
3-[4-[2-(4-butylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methoxypyridazine
CID 139779129
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-heptylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778999
3-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778718
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
3-[3-fluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778818
3-[4-[2-(4-butylcyclohexyl)ethyl]-3-fluorophenyl]-6-heptoxypyridazine
CID 139778675

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine?
The IUPAC name of 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine (CID 139778550) is 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine?
The canonical SMILES for 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine is CCCCC1CCC(CCc2ccc(-c3ccc(OC)nn3)cc2)CC1.
What is the InChIKey of 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine?
The InChIKey is OEMVGHHJZWPMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-3-4-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)22-16-17-23(26-2)25-24-22/h12-19H,3-11H2,1-2H3.
What are the key properties of 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine?
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine has a molecular weight of 352.52 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine is sourced from PubChem (CID 139778550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).