3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile

C9H5ClN4 — CID 169483642

IUPAC3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile
SMILESN#CC=Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C9H5ClN4/c10-8-3-4-9-12-6-7(2-1-5-11)14(9)13-8/h1-4,6H
InChIKeyLAVGOTFSAPDSFA-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.92
Rot. Bonds1

About 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile

3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile (PubChem CID 169483642) has the molecular formula C9H5ClN4 and a molecular weight of 204.62 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile
PubChem CID169483642
Molecular FormulaC9H5ClN4
Molecular Weight204.62 g/mol
Exact Mass204.02
IUPAC Name3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile
SMILESN#CC=Cc1cnc2ccc(Cl)nn12
InChIInChI=1S/C9H5ClN4/c10-8-3-4-9-12-6-7(2-1-5-11)14(9)13-8/h1-4,6H
InChIKeyLAVGOTFSAPDSFA-UHFFFAOYSA-N
XLogP1.92
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile?
The IUPAC name of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile (CID 169483642) is 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile?
The canonical SMILES for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile is N#CC=Cc1cnc2ccc(Cl)nn12.
What is the InChIKey of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile?
The InChIKey is LAVGOTFSAPDSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4/c10-8-3-4-9-12-6-7(2-1-5-11)14(9)13-8/h1-4,6H.
What are the key properties of 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile?
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile has a molecular weight of 204.62 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)prop-2-enenitrile is sourced from PubChem (CID 169483642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).