6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane

C9H12ClN3 — CID 91462782

IUPAC6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane
SMILESCC.ClCc1ccc2nccn2n1
InChIInChI=1S/C7H6ClN3.C2H6/c8-5-6-1-2-7-9-3-4-11(7)10-6;1-2/h1-4H,5H2;1-2H3
InChIKeyXWLXGQKOIQEIMU-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.49
Rot. Bonds1

About 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane

6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane (PubChem CID 91462782) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane.

Molecular Properties

Compound Name6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane
PubChem CID91462782
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane
SMILESCC.ClCc1ccc2nccn2n1
InChIInChI=1S/C7H6ClN3.C2H6/c8-5-6-1-2-7-9-3-4-11(7)10-6;1-2/h1-4H,5H2;1-2H3
InChIKeyXWLXGQKOIQEIMU-UHFFFAOYSA-N
XLogP2.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane?
The IUPAC name of 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane (CID 91462782) is 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane.
What is the SMILES notation for 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane?
The canonical SMILES for 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane is CC.ClCc1ccc2nccn2n1.
What is the InChIKey of 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane?
The InChIKey is XWLXGQKOIQEIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3.C2H6/c8-5-6-1-2-7-9-3-4-11(7)10-6;1-2/h1-4H,5H2;1-2H3.
What are the key properties of 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane?
6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane has a molecular weight of 197.67 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)imidazo[1,2-b]pyridazine;ethane is sourced from PubChem (CID 91462782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).