3,4-bis(4-butylphenyl)pyridazine

C24H28N2 — CID 54478230

IUPAC3,4-bis(4-butylphenyl)pyridazine
SMILESCCCCc1ccc(-c2ccnnc2-c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C24H28N2/c1-3-5-7-19-9-13-21(14-10-19)23-17-18-25-26-24(23)22-15-11-20(12-16-22)8-6-4-2/h9-18H,3-8H2,1-2H3
InChIKeyXNCOCKMFNRHQOY-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.50
Rot. Bonds8

About 3,4-bis(4-butylphenyl)pyridazine

3,4-bis(4-butylphenyl)pyridazine (PubChem CID 54478230) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3,4-bis(4-butylphenyl)pyridazine.

Molecular Properties

Compound Name3,4-bis(4-butylphenyl)pyridazine
PubChem CID54478230
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name3,4-bis(4-butylphenyl)pyridazine
SMILESCCCCc1ccc(-c2ccnnc2-c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C24H28N2/c1-3-5-7-19-9-13-21(14-10-19)23-17-18-25-26-24(23)22-15-11-20(12-16-22)8-6-4-2/h9-18H,3-8H2,1-2H3
InChIKeyXNCOCKMFNRHQOY-UHFFFAOYSA-N
XLogP6.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-butylphenyl)phenyl]pyrimidine
CID 57129115
3-[4-(4-butylphenyl)phenyl]-2,5,6-trifluoropyridine
CID 23190501
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
[2-bromo-4-(4-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867649
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
2-(4-butylphenyl)-5-(4-heptylphenyl)-1,3,4-thiadiazole
CID 101033956
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
1-butyl-4-phenylbenzene;ethane
CID 143743409
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-butylphenyl)pyridazine?
The IUPAC name of 3,4-bis(4-butylphenyl)pyridazine (CID 54478230) is 3,4-bis(4-butylphenyl)pyridazine.
What is the SMILES notation for 3,4-bis(4-butylphenyl)pyridazine?
The canonical SMILES for 3,4-bis(4-butylphenyl)pyridazine is CCCCc1ccc(-c2ccnnc2-c2ccc(CCCC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-butylphenyl)pyridazine?
The InChIKey is XNCOCKMFNRHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-3-5-7-19-9-13-21(14-10-19)23-17-18-25-26-24(23)22-15-11-20(12-16-22)8-6-4-2/h9-18H,3-8H2,1-2H3.
What are the key properties of 3,4-bis(4-butylphenyl)pyridazine?
3,4-bis(4-butylphenyl)pyridazine has a molecular weight of 344.50 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-butylphenyl)pyridazine is sourced from PubChem (CID 54478230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).