4-benzyl-3,6-dipyridin-2-ylpyridazine

C21H16N4 — CID 132577194

IUPAC4-benzyl-3,6-dipyridin-2-ylpyridazine
SMILESc1ccc(Cc2cc(-c3ccccn3)nnc2-c2ccccn2)cc1
InChIInChI=1S/C21H16N4/c1-2-8-16(9-3-1)14-17-15-20(18-10-4-6-12-22-18)24-25-21(17)19-11-5-7-13-23-19/h1-13,15H,14H2
InChIKeyALCOSCCFUDSYAX-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.19
Rot. Bonds4

About 4-benzyl-3,6-dipyridin-2-ylpyridazine

4-benzyl-3,6-dipyridin-2-ylpyridazine (PubChem CID 132577194) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-benzyl-3,6-dipyridin-2-ylpyridazine.

Molecular Properties

Compound Name4-benzyl-3,6-dipyridin-2-ylpyridazine
PubChem CID132577194
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name4-benzyl-3,6-dipyridin-2-ylpyridazine
SMILESc1ccc(Cc2cc(-c3ccccn3)nnc2-c2ccccn2)cc1
InChIInChI=1S/C21H16N4/c1-2-8-16(9-3-1)14-17-15-20(18-10-4-6-12-22-18)24-25-21(17)19-11-5-7-13-23-19/h1-13,15H,14H2
InChIKeyALCOSCCFUDSYAX-UHFFFAOYSA-N
XLogP4.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-3,6-dipyridin-2-ylpyridazine
CID 6418950
4-(phosphorosomethyl)-3,6-dipyridin-2-ylpyridazine
CID 122674343
2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine
CID 166446555
4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane
CID 139194398
3-benzyl-2-chloropyridine
CID 22768075
2-benzyl-4-pyridin-2-ylbenzonitrile
CID 162707729
4,5-dipropyl-3,6-dipyridin-2-ylpyridazine
CID 58250586
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3,6-dipyridin-2-ylpyridazine?
The IUPAC name of 4-benzyl-3,6-dipyridin-2-ylpyridazine (CID 132577194) is 4-benzyl-3,6-dipyridin-2-ylpyridazine.
What is the SMILES notation for 4-benzyl-3,6-dipyridin-2-ylpyridazine?
The canonical SMILES for 4-benzyl-3,6-dipyridin-2-ylpyridazine is c1ccc(Cc2cc(-c3ccccn3)nnc2-c2ccccn2)cc1.
What is the InChIKey of 4-benzyl-3,6-dipyridin-2-ylpyridazine?
The InChIKey is ALCOSCCFUDSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-2-8-16(9-3-1)14-17-15-20(18-10-4-6-12-22-18)24-25-21(17)19-11-5-7-13-23-19/h1-13,15H,14H2.
What are the key properties of 4-benzyl-3,6-dipyridin-2-ylpyridazine?
4-benzyl-3,6-dipyridin-2-ylpyridazine has a molecular weight of 324.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3,6-dipyridin-2-ylpyridazine is sourced from PubChem (CID 132577194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).