5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile

C17H15ClN6 — CID 89494007

IUPAC5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile
SMILESN#Cc1cc(-c2cnc3ccc(Cl)nn23)ccc1N1CCNCC1
InChIInChI=1S/C17H15ClN6/c18-16-3-4-17-21-11-15(24(17)22-16)12-1-2-14(13(9-12)10-19)23-7-5-20-6-8-23/h1-4,9,11,20H,5-8H2
InChIKeyATTWBDNANBVATP-UHFFFAOYSA-N
MW338.80 g/mol
LogP2.33
Rot. Bonds2

About 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile

5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile (PubChem CID 89494007) has the molecular formula C17H15ClN6 and a molecular weight of 338.80 g/mol. Its IUPAC name is 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile.

Molecular Properties

Compound Name5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile
PubChem CID89494007
Molecular FormulaC17H15ClN6
Molecular Weight338.80 g/mol
Exact Mass338.10
IUPAC Name5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile
SMILESN#Cc1cc(-c2cnc3ccc(Cl)nn23)ccc1N1CCNCC1
InChIInChI=1S/C17H15ClN6/c18-16-3-4-17-21-11-15(24(17)22-16)12-1-2-14(13(9-12)10-19)23-7-5-20-6-8-23/h1-4,9,11,20H,5-8H2
InChIKeyATTWBDNANBVATP-UHFFFAOYSA-N
XLogP2.33
TPSA69.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile?
The IUPAC name of 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile (CID 89494007) is 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile.
What is the SMILES notation for 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile?
The canonical SMILES for 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile is N#Cc1cc(-c2cnc3ccc(Cl)nn23)ccc1N1CCNCC1.
What is the InChIKey of 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile?
The InChIKey is ATTWBDNANBVATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6/c18-16-3-4-17-21-11-15(24(17)22-16)12-1-2-14(13(9-12)10-19)23-7-5-20-6-8-23/h1-4,9,11,20H,5-8H2.
What are the key properties of 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile?
5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile has a molecular weight of 338.80 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile is sourced from PubChem (CID 89494007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).