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

C26H38N2O — CID 139778646

IUPAC3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
SMILESCCCCCCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C26H38N2O/c1-3-4-5-6-7-20-29-25-17-13-23(14-18-25)26-19-16-24(27-28-26)15-12-22-10-8-21(2)9-11-22/h13-14,16-19,21-22H,3-12,15,20H2,1-2H3
InChIKeyUQDQNCPZIPZKTM-UHFFFAOYSA-N
MW394.60 g/mol
LogP7.25
Rot. Bonds11

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

3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine (PubChem CID 139778646) has the molecular formula C26H38N2O and a molecular weight of 394.60 g/mol. Its IUPAC name is 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine.

Molecular Properties

Compound Name3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
PubChem CID139778646
Molecular FormulaC26H38N2O
Molecular Weight394.60 g/mol
Exact Mass394.30
IUPAC Name3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
SMILESCCCCCCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1
InChIInChI=1S/C26H38N2O/c1-3-4-5-6-7-20-29-25-17-13-23(14-18-25)26-19-16-24(27-28-26)15-12-22-10-8-21(2)9-11-22/h13-14,16-19,21-22H,3-12,15,20H2,1-2H3
InChIKeyUQDQNCPZIPZKTM-UHFFFAOYSA-N
XLogP7.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-heptoxyphenyl)-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-(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-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778718
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
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine
CID 139778798
3-(2-fluoro-4-pentoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778897
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915

Frequently Asked Questions

What is the IUPAC name of 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The IUPAC name of 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine (CID 139778646) is 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine.
What is the SMILES notation for 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The canonical SMILES for 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine is CCCCCCCOc1ccc(-c2ccc(CCC3CCC(C)CC3)nn2)cc1.
What is the InChIKey of 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
The InChIKey is UQDQNCPZIPZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O/c1-3-4-5-6-7-20-29-25-17-13-23(14-18-25)26-19-16-24(27-28-26)15-12-22-10-8-21(2)9-11-22/h13-14,16-19,21-22H,3-12,15,20H2,1-2H3.
What are the key properties of 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine?
3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine has a molecular weight of 394.60 g/mol, XLogP of 7.25, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-heptoxyphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine is sourced from PubChem (CID 139778646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).