3-(4-decylphenyl)-6-propylpyridazine

C23H34N2 — CID 13360938

IUPAC3-(4-decylphenyl)-6-propylpyridazine
SMILESCCCCCCCCCCc1ccc(-c2ccc(CCC)nn2)cc1
InChIInChI=1S/C23H34N2/c1-3-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)23-19-18-22(12-4-2)24-25-23/h14-19H,3-13H2,1-2H3
InChIKeyOCBWNNKNDPKTRE-UHFFFAOYSA-N
MW338.54 g/mol
LogP6.78
Rot. Bonds12

About 3-(4-decylphenyl)-6-propylpyridazine

3-(4-decylphenyl)-6-propylpyridazine (PubChem CID 13360938) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 3-(4-decylphenyl)-6-propylpyridazine.

Molecular Properties

Compound Name3-(4-decylphenyl)-6-propylpyridazine
PubChem CID13360938
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name3-(4-decylphenyl)-6-propylpyridazine
SMILESCCCCCCCCCCc1ccc(-c2ccc(CCC)nn2)cc1
InChIInChI=1S/C23H34N2/c1-3-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)23-19-18-22(12-4-2)24-25-23/h14-19H,3-13H2,1-2H3
InChIKeyOCBWNNKNDPKTRE-UHFFFAOYSA-N
XLogP6.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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-(4-hexylphenyl)-6-[2-(4-methylcyclohexyl)ethyl]pyridazine
CID 139778718
3-heptyl-6-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]pyridazine
CID 139778532
3-[2-(4-pentylcyclohexyl)ethyl]-6-(4-propylphenyl)pyridazine
CID 139778915
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
3-heptyl-6-(5-heptyl-2-pyridinyl)pyridazine
CID 22412973
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822

Frequently Asked Questions

What is the IUPAC name of 3-(4-decylphenyl)-6-propylpyridazine?
The IUPAC name of 3-(4-decylphenyl)-6-propylpyridazine (CID 13360938) is 3-(4-decylphenyl)-6-propylpyridazine.
What is the SMILES notation for 3-(4-decylphenyl)-6-propylpyridazine?
The canonical SMILES for 3-(4-decylphenyl)-6-propylpyridazine is CCCCCCCCCCc1ccc(-c2ccc(CCC)nn2)cc1.
What is the InChIKey of 3-(4-decylphenyl)-6-propylpyridazine?
The InChIKey is OCBWNNKNDPKTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-3-5-6-7-8-9-10-11-13-20-14-16-21(17-15-20)23-19-18-22(12-4-2)24-25-23/h14-19H,3-13H2,1-2H3.
What are the key properties of 3-(4-decylphenyl)-6-propylpyridazine?
3-(4-decylphenyl)-6-propylpyridazine has a molecular weight of 338.54 g/mol, XLogP of 6.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-decylphenyl)-6-propylpyridazine is sourced from PubChem (CID 13360938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).