4-butyl-3,6-diphenylpyridazine

C20H20N2 — CID 123249171

IUPAC4-butyl-3,6-diphenylpyridazine
SMILESCCCCc1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C20H20N2/c1-2-3-10-18-15-19(16-11-6-4-7-12-16)21-22-20(18)17-13-8-5-9-14-17/h4-9,11-15H,2-3,10H2,1H3
InChIKeyFQQLHKYUOIVMTD-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.15
Rot. Bonds5

About 4-butyl-3,6-diphenylpyridazine

4-butyl-3,6-diphenylpyridazine (PubChem CID 123249171) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-butyl-3,6-diphenylpyridazine.

Molecular Properties

Compound Name4-butyl-3,6-diphenylpyridazine
PubChem CID123249171
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name4-butyl-3,6-diphenylpyridazine
SMILESCCCCc1cc(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C20H20N2/c1-2-3-10-18-15-19(16-11-6-4-7-12-16)21-22-20(18)17-13-8-5-9-14-17/h4-9,11-15H,2-3,10H2,1H3
InChIKeyFQQLHKYUOIVMTD-UHFFFAOYSA-N
XLogP5.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(c)cinnoline
CID 9190
3-Phenylpyridazine
CID 193499
3-Phenylcinnoline
CID 82763
3-Methyl-5-phenylpyridazine
CID 2736934
3-Chloro-6-(2-methylbenzyl)pyridazine
CID 6404653
3,5-Diphenylpyridazine
CID 10443943
4-[6-(4-Carbamimidoylphenyl)pyridazin-3-yl]benzenecarboximidamide
CID 12637661
3-Benzyl-6-chloropyridazine
CID 6404535
3-Chloro-6-(4-methylphenyl)pyridazine
CID 2775558
3-Phenyl-5H-indeno[1,2-c]pyridazine
CID 23648193
3-Chloro-6-[(3-methylphenyl)methyl]pyridazine
CID 6404581
3-Amino-4,6-diphenylpyridazine
CID 11770746

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3,6-diphenylpyridazine?
The IUPAC name of 4-butyl-3,6-diphenylpyridazine (CID 123249171) is 4-butyl-3,6-diphenylpyridazine.
What is the SMILES notation for 4-butyl-3,6-diphenylpyridazine?
The canonical SMILES for 4-butyl-3,6-diphenylpyridazine is CCCCc1cc(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 4-butyl-3,6-diphenylpyridazine?
The InChIKey is FQQLHKYUOIVMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-2-3-10-18-15-19(16-11-6-4-7-12-16)21-22-20(18)17-13-8-5-9-14-17/h4-9,11-15H,2-3,10H2,1H3.
What are the key properties of 4-butyl-3,6-diphenylpyridazine?
4-butyl-3,6-diphenylpyridazine has a molecular weight of 288.39 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3,6-diphenylpyridazine is sourced from PubChem (CID 123249171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).