1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane

C22H28N4 — CID 145053484

IUPAC1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane
SMILESCC.c1ccc(C2=NN=C(c3ccccn3)C3CCCCCCC23)nc1
InChIInChI=1S/C20H22N4.C2H6/c1-2-4-10-16-15(9-3-1)19(17-11-5-7-13-21-17)23-24-20(16)18-12-6-8-14-22-18;1-2/h5-8,11-16H,1-4,9-10H2;1-2H3
InChIKeyFNMQOXDVFQICKH-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.30
Rot. Bonds2

About 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane

1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane (PubChem CID 145053484) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane.

Molecular Properties

Compound Name1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane
PubChem CID145053484
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane
SMILESCC.c1ccc(C2=NN=C(c3ccccn3)C3CCCCCCC23)nc1
InChIInChI=1S/C20H22N4.C2H6/c1-2-4-10-16-15(9-3-1)19(17-11-5-7-13-21-17)23-24-20(16)18-12-6-8-14-22-18;1-2/h5-8,11-16H,1-4,9-10H2;1-2H3
InChIKeyFNMQOXDVFQICKH-UHFFFAOYSA-N
XLogP5.30
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane with MolForge

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Related Compounds

(1S,2R,7S,8R)-3,6-dipyridin-2-yl-4,5-diazatricyclo[6.2.1.02,7]undeca-3,5-diene
CID 11822794
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
N-(8-amino-1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazin-7-yl)formamide
CID 89216906
5-methyl-6-pyridin-2-yl-4,5-dihydropyridazin-3-amine
CID 14392554
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
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
(1Z,5Z)-cycloocta-1,5-diene;nickel;2-pyridin-2-ylpyridine
CID 11067258

Frequently Asked Questions

What is the IUPAC name of 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane?
The IUPAC name of 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane (CID 145053484) is 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane.
What is the SMILES notation for 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane?
The canonical SMILES for 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane is CC.c1ccc(C2=NN=C(c3ccccn3)C3CCCCCCC23)nc1.
What is the InChIKey of 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane?
The InChIKey is FNMQOXDVFQICKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4.C2H6/c1-2-4-10-16-15(9-3-1)19(17-11-5-7-13-21-17)23-24-20(16)18-12-6-8-14-22-18;1-2/h5-8,11-16H,1-4,9-10H2;1-2H3.
What are the key properties of 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane?
1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane has a molecular weight of 348.49 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane is sourced from PubChem (CID 145053484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).