6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine

C17H16Cl3N5 — CID 11696910

IUPAC6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESClc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1
InChIInChI=1S/C17H16Cl3N5/c18-14-2-1-13(9-15(14)19)24-7-5-23(6-8-24)10-12-11-25-17(21-12)4-3-16(20)22-25/h1-4,9,11H,5-8,10H2
InChIKeyYJBGSZUYOGPUMC-UHFFFAOYSA-N
MW396.71 g/mol
LogP4.01
Rot. Bonds3

About 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine

6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine (PubChem CID 11696910) has the molecular formula C17H16Cl3N5 and a molecular weight of 396.71 g/mol. Its IUPAC name is 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
PubChem CID11696910
Molecular FormulaC17H16Cl3N5
Molecular Weight396.71 g/mol
Exact Mass395.05
IUPAC Name6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESClc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1
InChIInChI=1S/C17H16Cl3N5/c18-14-2-1-13(9-15(14)19)24-7-5-23(6-8-24)10-12-11-25-17(21-12)4-3-16(20)22-25/h1-4,9,11H,5-8,10H2
InChIKeyYJBGSZUYOGPUMC-UHFFFAOYSA-N
XLogP4.01
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.71
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine (CID 11696910) is 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine is Clc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1.
What is the InChIKey of 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The InChIKey is YJBGSZUYOGPUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N5/c18-14-2-1-13(9-15(14)19)24-7-5-23(6-8-24)10-12-11-25-17(21-12)4-3-16(20)22-25/h1-4,9,11H,5-8,10H2.
What are the key properties of 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine has a molecular weight of 396.71 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11696910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).