8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine

C12H13ClN4 — CID 157034233

IUPAC8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine
SMILESClc1cc(N2C[C@H]3CCC2C3)c2nccn2n1
InChIInChI=1S/C12H13ClN4/c13-11-6-10(12-14-3-4-17(12)15-11)16-7-8-1-2-9(16)5-8/h3-4,6,8-9H,1-2,5,7H2/t8-,9?/m0/s1
InChIKeyKYCIFJGNSLESTD-IENPIDJESA-N
MW248.72 g/mol
LogP2.37
Rot. Bonds1

About 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine

8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine (PubChem CID 157034233) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine
PubChem CID157034233
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine
SMILESClc1cc(N2C[C@H]3CCC2C3)c2nccn2n1
InChIInChI=1S/C12H13ClN4/c13-11-6-10(12-14-3-4-17(12)15-11)16-7-8-1-2-9(16)5-8/h3-4,6,8-9H,1-2,5,7H2/t8-,9?/m0/s1
InChIKeyKYCIFJGNSLESTD-IENPIDJESA-N
XLogP2.37
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine?
The IUPAC name of 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine (CID 157034233) is 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine is Clc1cc(N2C[C@H]3CCC2C3)c2nccn2n1.
What is the InChIKey of 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine?
The InChIKey is KYCIFJGNSLESTD-IENPIDJESA-N. The full InChI is InChI=1S/C12H13ClN4/c13-11-6-10(12-14-3-4-17(12)15-11)16-7-8-1-2-9(16)5-8/h3-4,6,8-9H,1-2,5,7H2/t8-,9?/m0/s1.
What are the key properties of 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine?
8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine has a molecular weight of 248.72 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4S)-2-azabicyclo[2.2.1]heptan-2-yl]-6-chloroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 157034233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).