3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine

C26H24N6+4 — CID 100924628

IUPAC3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine
SMILESC[n+]1ccc(-c2cc[n+](-c3ccc(-[n+]4ccc(-c5cc[n+](C)cc5)cc4)nn3)cc2)cc1
InChIInChI=1S/C26H24N6/c1-29-13-5-21(6-14-29)23-9-17-31(18-10-23)25-3-4-26(28-27-25)32-19-11-24(12-20-32)22-7-15-30(2)16-8-22/h3-20H,1-2H3/q+4
InChIKeyGTEDGCSFNKLNES-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.01
Rot. Bonds4

About 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine

3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine (PubChem CID 100924628) has the molecular formula C26H24N6+4 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine.

Molecular Properties

Compound Name3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine
PubChem CID100924628
Molecular FormulaC26H24N6+4
Molecular Weight420.52 g/mol
Exact Mass420.20
IUPAC Name3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine
SMILESC[n+]1ccc(-c2cc[n+](-c3ccc(-[n+]4ccc(-c5cc[n+](C)cc5)cc4)nn3)cc2)cc1
InChIInChI=1S/C26H24N6/c1-29-13-5-21(6-14-29)23-9-17-31(18-10-23)25-3-4-26(28-27-25)32-19-11-24(12-20-32)22-7-15-30(2)16-8-22/h3-20H,1-2H3/q+4
InChIKeyGTEDGCSFNKLNES-UHFFFAOYSA-N
XLogP2.01
TPSA41.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-pyridin-4-ylpyridin-1-ium;hydrochloride
CID 174834692
4-(4-chlorophenyl)-1-methylpyridin-1-ium
CID 24799632
1-methyl-4-[1-[4-(4-phenylphenyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102138049
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;1-methyl-4-[1-[[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 157277312
CID 139143904
CID 139143904
2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane
CID 158008103
1-methyl-4-[1-[4-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium tetrachloride
CID 11734241
1-methyl-4-[1-[12-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 101013957
2-(1-methylpyridin-1-ium-4-yl)pyrimidine bromide
CID 12629383
1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium iodide
CID 24799783
3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propan-1-amine
CID 71375197
1-methyl-4-[1-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]pyridin-1-ium tetraperchlorate
CID 13234747

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine?
The IUPAC name of 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine (CID 100924628) is 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine.
What is the SMILES notation for 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine?
The canonical SMILES for 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine is C[n+]1ccc(-c2cc[n+](-c3ccc(-[n+]4ccc(-c5cc[n+](C)cc5)cc4)nn3)cc2)cc1.
What is the InChIKey of 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine?
The InChIKey is GTEDGCSFNKLNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6/c1-29-13-5-21(6-14-29)23-9-17-31(18-10-23)25-3-4-26(28-27-25)32-19-11-24(12-20-32)22-7-15-30(2)16-8-22/h3-20H,1-2H3/q+4.
What are the key properties of 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine?
3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine has a molecular weight of 420.52 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pyridazine is sourced from PubChem (CID 100924628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).