6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile

C7H3ClN4 — CID 55265691

IUPAC6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C7H3ClN4/c8-6-1-2-7-10-4-5(3-9)12(7)11-6/h1-2,4H
InChIKeyFIXCBXPQEPYTNT-UHFFFAOYSA-N
MW178.58 g/mol
LogP1.25
Rot. Bonds

About 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile

6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 55265691) has the molecular formula C7H3ClN4 and a molecular weight of 178.58 g/mol. Its IUPAC name is 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID55265691
Molecular FormulaC7H3ClN4
Molecular Weight178.58 g/mol
Exact Mass178.00
IUPAC Name6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C7H3ClN4/c8-6-1-2-7-10-4-5(3-9)12(7)11-6/h1-2,4H
InChIKeyFIXCBXPQEPYTNT-UHFFFAOYSA-N
XLogP1.25
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.58
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile (CID 55265691) is 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is FIXCBXPQEPYTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN4/c8-6-1-2-7-10-4-5(3-9)12(7)11-6/h1-2,4H.
What are the key properties of 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile?
6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 178.58 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroimidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 55265691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).