(10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol

C20H20N4O — CID 155421466

IUPAC(10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol
SMILESOC1CC/C=C2/C(c3ccccn3)=NN=C(c3ccccn3)C2CC1
InChIInChI=1S/C20H20N4O/c25-14-6-5-7-15-16(11-10-14)20(18-9-2-4-13-22-18)24-23-19(15)17-8-1-3-12-21-17/h1-4,7-9,12-14,16,25H,5-6,10-11H2/b15-7+
InChIKeyBRHKCRBBOPVNFZ-VIZOYTHASA-N
MW332.41 g/mol
LogP3.16
Rot. Bonds2

About (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol

(10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol (PubChem CID 155421466) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol.

Molecular Properties

Compound Name(10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol
PubChem CID155421466
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol
SMILESOC1CC/C=C2/C(c3ccccn3)=NN=C(c3ccccn3)C2CC1
InChIInChI=1S/C20H20N4O/c25-14-6-5-7-15-16(11-10-14)20(18-9-2-4-13-22-18)24-23-19(15)17-8-1-3-12-21-17/h1-4,7-9,12-14,16,25H,5-6,10-11H2/b15-7+
InChIKeyBRHKCRBBOPVNFZ-VIZOYTHASA-N
XLogP3.16
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol with MolForge

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Related Compounds

(7S,10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol
CID 155421408
(1S,2R,7S,8R)-3,6-dipyridin-2-yl-4,5-diazatricyclo[6.2.1.02,7]undeca-3,5-diene
CID 11822794
2-(6-cyclopropylcyclohexa-1,5-dien-1-yl)pyridine
CID 143636701
1,4-dipyridin-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine;ethane
CID 145053484
(1R,6R)-2-pyridin-2-yl-9-azabicyclo[4.2.1]non-2-ene
CID 11074415
2-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyridine
CID 58175901
5-methyl-6-pyridin-2-yl-4,5-dihydropyridazin-3-amine
CID 14392554
(1S,2S,3R,8R,9S,10S)-13,14-dimethylidene-4,7-dipyridin-2-yl-5,6-diazatetracyclo[8.2.2.02,9.03,8]tetradeca-4,6,11-triene
CID 98520631
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol?
The IUPAC name of (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol (CID 155421466) is (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol.
What is the SMILES notation for (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol?
The canonical SMILES for (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol is OC1CC/C=C2/C(c3ccccn3)=NN=C(c3ccccn3)C2CC1.
What is the InChIKey of (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol?
The InChIKey is BRHKCRBBOPVNFZ-VIZOYTHASA-N. The full InChI is InChI=1S/C20H20N4O/c25-14-6-5-7-15-16(11-10-14)20(18-9-2-4-13-22-18)24-23-19(15)17-8-1-3-12-21-17/h1-4,7-9,12-14,16,25H,5-6,10-11H2/b15-7+.
What are the key properties of (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol?
(10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol has a molecular weight of 332.41 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-1,4-dipyridin-2-yl-4a,5,6,7,8,9-hexahydrocycloocta[d]pyridazin-7-ol is sourced from PubChem (CID 155421466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).