3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine

C26H37FN2O — CID 139778798

IUPAC3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine
SMILESCCCCCCOc1ccc(-c2ccc(CCC3CCC(CC)CC3)nn2)cc1F
InChIInChI=1S/C26H37FN2O/c1-3-5-6-7-18-30-26-17-13-22(19-24(26)27)25-16-15-23(28-29-25)14-12-21-10-8-20(4-2)9-11-21/h13,15-17,19-21H,3-12,14,18H2,1-2H3
InChIKeyQZYAJTAQAFXVIA-UHFFFAOYSA-N
MW412.59 g/mol
LogP7.39
Rot. Bonds11

About 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine

3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine (PubChem CID 139778798) has the molecular formula C26H37FN2O and a molecular weight of 412.59 g/mol. Its IUPAC name is 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine
PubChem CID139778798
Molecular FormulaC26H37FN2O
Molecular Weight412.59 g/mol
Exact Mass412.29
IUPAC Name3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine
SMILESCCCCCCOc1ccc(-c2ccc(CCC3CCC(CC)CC3)nn2)cc1F
InChIInChI=1S/C26H37FN2O/c1-3-5-6-7-18-30-26-17-13-22(19-24(26)27)25-16-15-23(28-29-25)14-12-21-10-8-20(4-2)9-11-21/h13,15-17,19-21H,3-12,14,18H2,1-2H3
InChIKeyQZYAJTAQAFXVIA-UHFFFAOYSA-N
XLogP7.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.59
LogP ≤ 57.39
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-(3-fluoro-4-propoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139779042
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexylphenyl)pyridazine
CID 139779119
3-[2-(4-ethylcyclohexyl)ethyl]-6-(4-heptoxyphenyl)pyridazine
CID 139778846
3-[2-(4-butylcyclohexyl)ethyl]-6-(3-fluoro-4-pentylphenyl)pyridazine
CID 139778699
3-[4-[2-(4-ethylcyclohexyl)ethyl]-3-fluorophenyl]-6-pentoxypyridazine
CID 67787145
3-(2,3-difluoro-4-heptoxyphenyl)-6-[2-(4-hexylcyclohexyl)ethyl]pyridazine
CID 139778706
3-(3-fluoro-4-propylphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139779136
3-(4-hexoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]pyridazine
CID 139779161
3-[3-fluoro-4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-6-heptylpyridazine
CID 139778666
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778646
3-[2-(4-ethylcyclohexyl)ethyl]-6-(2-fluoro-4-heptylphenyl)pyridazine
CID 139778757
3-[3-fluoro-4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-6-propylpyridazine
CID 139778945

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine?
The IUPAC name of 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine (CID 139778798) is 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine.
What is the SMILES notation for 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine?
The canonical SMILES for 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine is CCCCCCOc1ccc(-c2ccc(CCC3CCC(CC)CC3)nn2)cc1F.
What is the InChIKey of 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine?
The InChIKey is QZYAJTAQAFXVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN2O/c1-3-5-6-7-18-30-26-17-13-22(19-24(26)27)25-16-15-23(28-29-25)14-12-21-10-8-20(4-2)9-11-21/h13,15-17,19-21H,3-12,14,18H2,1-2H3.
What are the key properties of 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine?
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine has a molecular weight of 412.59 g/mol, XLogP of 7.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine is sourced from PubChem (CID 139778798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).