tris(pyrrolo[1,2-b]pyridazine);dihydrochloride

C21H20Cl2N6 — CID 70284248

IUPACtris(pyrrolo[1,2-b]pyridazine);dihydrochloride
SMILESCl.Cl.c1cnn2cccc2c1.c1cnn2cccc2c1.c1cnn2cccc2c1
InChIInChI=1S/3C7H6N2.2ClH/c3*1-3-7-4-2-6-9(7)8-5-1;;/h3*1-6H;2*1H
InChIKeyOBAGTFWPEQEPCD-UHFFFAOYSA-N
MW427.34 g/mol
LogP4.85
Rot. Bonds

About tris(pyrrolo[1,2-b]pyridazine);dihydrochloride

tris(pyrrolo[1,2-b]pyridazine);dihydrochloride (PubChem CID 70284248) has the molecular formula C21H20Cl2N6 and a molecular weight of 427.34 g/mol. Its IUPAC name is tris(pyrrolo[1,2-b]pyridazine);dihydrochloride.

Molecular Properties

Compound Nametris(pyrrolo[1,2-b]pyridazine);dihydrochloride
PubChem CID70284248
Molecular FormulaC21H20Cl2N6
Molecular Weight427.34 g/mol
Exact Mass426.11
IUPAC Nametris(pyrrolo[1,2-b]pyridazine);dihydrochloride
SMILESCl.Cl.c1cnn2cccc2c1.c1cnn2cccc2c1.c1cnn2cccc2c1
InChIInChI=1S/3C7H6N2.2ClH/c3*1-3-7-4-2-6-9(7)8-5-1;;/h3*1-6H;2*1H
InChIKeyOBAGTFWPEQEPCD-UHFFFAOYSA-N
XLogP4.85
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tris(pyrrolo[1,2-b]pyridazine);dihydrochloride?
The IUPAC name of tris(pyrrolo[1,2-b]pyridazine);dihydrochloride (CID 70284248) is tris(pyrrolo[1,2-b]pyridazine);dihydrochloride.
What is the SMILES notation for tris(pyrrolo[1,2-b]pyridazine);dihydrochloride?
The canonical SMILES for tris(pyrrolo[1,2-b]pyridazine);dihydrochloride is Cl.Cl.c1cnn2cccc2c1.c1cnn2cccc2c1.c1cnn2cccc2c1.
What is the InChIKey of tris(pyrrolo[1,2-b]pyridazine);dihydrochloride?
The InChIKey is OBAGTFWPEQEPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H6N2.2ClH/c3*1-3-7-4-2-6-9(7)8-5-1;;/h3*1-6H;2*1H.
What are the key properties of tris(pyrrolo[1,2-b]pyridazine);dihydrochloride?
tris(pyrrolo[1,2-b]pyridazine);dihydrochloride has a molecular weight of 427.34 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(pyrrolo[1,2-b]pyridazine);dihydrochloride is sourced from PubChem (CID 70284248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).