4-chloro-7-ethylimidazo[4,5-c]pyridazine

C7H7ClN4 — CID 55296765

IUPAC4-chloro-7-ethylimidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(Cl)cnnc21
InChIInChI=1S/C7H7ClN4/c1-2-12-4-9-6-5(8)3-10-11-7(6)12/h3-4H,2H2,1H3
InChIKeyQQIOFEOYBPQDIA-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.50
Rot. Bonds1

About 4-chloro-7-ethylimidazo[4,5-c]pyridazine

4-chloro-7-ethylimidazo[4,5-c]pyridazine (PubChem CID 55296765) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 4-chloro-7-ethylimidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name4-chloro-7-ethylimidazo[4,5-c]pyridazine
PubChem CID55296765
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name4-chloro-7-ethylimidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(Cl)cnnc21
InChIInChI=1S/C7H7ClN4/c1-2-12-4-9-6-5(8)3-10-11-7(6)12/h3-4H,2H2,1H3
InChIKeyQQIOFEOYBPQDIA-UHFFFAOYSA-N
XLogP1.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-ethylimidazo[4,5-c]pyridazine?
The IUPAC name of 4-chloro-7-ethylimidazo[4,5-c]pyridazine (CID 55296765) is 4-chloro-7-ethylimidazo[4,5-c]pyridazine.
What is the SMILES notation for 4-chloro-7-ethylimidazo[4,5-c]pyridazine?
The canonical SMILES for 4-chloro-7-ethylimidazo[4,5-c]pyridazine is CCn1cnc2c(Cl)cnnc21.
What is the InChIKey of 4-chloro-7-ethylimidazo[4,5-c]pyridazine?
The InChIKey is QQIOFEOYBPQDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-2-12-4-9-6-5(8)3-10-11-7(6)12/h3-4H,2H2,1H3.
What are the key properties of 4-chloro-7-ethylimidazo[4,5-c]pyridazine?
4-chloro-7-ethylimidazo[4,5-c]pyridazine has a molecular weight of 182.61 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-ethylimidazo[4,5-c]pyridazine is sourced from PubChem (CID 55296765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).