3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine

C20H26N2 — CID 57057112

IUPAC3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine
SMILESCCC1CCC(CCc2ccc(-c3cccnn3)cc2)CC1
InChIInChI=1S/C20H26N2/c1-2-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)20-4-3-15-21-22-20/h3-4,11-17H,2,5-10H2,1H3
InChIKeyRGAAGHIRLBOVLB-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.29
Rot. Bonds5

About 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine

3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine (PubChem CID 57057112) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine.

Molecular Properties

Compound Name3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine
PubChem CID57057112
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine
SMILESCCC1CCC(CCc2ccc(-c3cccnn3)cc2)CC1
InChIInChI=1S/C20H26N2/c1-2-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)20-4-3-15-21-22-20/h3-4,11-17H,2,5-10H2,1H3
InChIKeyRGAAGHIRLBOVLB-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-6-heptoxypyridazine
CID 15085080
5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 18609094
2-[2-(4-ethylcyclohexyl)ethyl]-5-(4-propylphenyl)pyrimidine
CID 19839952
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-6-methoxypyridazine
CID 139778550
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
6-(4-pyridazin-3-ylphenyl)hexan-1-amine
CID 140974870
5-[2-(4-ethylcyclohexyl)ethyl]-2-(4-nonylphenyl)pyrimidine
CID 54448604
3-[2-(4-hexylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778801
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
3-[2-(4-butylcyclohexyl)ethyl]-6-(4-hexylphenyl)pyridazine
CID 139778747

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine?
The IUPAC name of 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine (CID 57057112) is 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine.
What is the SMILES notation for 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine?
The canonical SMILES for 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine is CCC1CCC(CCc2ccc(-c3cccnn3)cc2)CC1.
What is the InChIKey of 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine?
The InChIKey is RGAAGHIRLBOVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-16-5-7-17(8-6-16)9-10-18-11-13-19(14-12-18)20-4-3-15-21-22-20/h3-4,11-17H,2,5-10H2,1H3.
What are the key properties of 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine?
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine has a molecular weight of 294.44 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridazine is sourced from PubChem (CID 57057112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).