7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine

C13H11FN4 — CID 86723231

IUPAC7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)cc3)cnnc21
InChIInChI=1S/C13H11FN4/c1-2-18-8-15-12-11(7-16-17-13(12)18)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyUVLBGLSQXYKNIX-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.65
Rot. Bonds2

About 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine

7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine (PubChem CID 86723231) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine
PubChem CID86723231
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)cc3)cnnc21
InChIInChI=1S/C13H11FN4/c1-2-18-8-15-12-11(7-16-17-13(12)18)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyUVLBGLSQXYKNIX-UHFFFAOYSA-N
XLogP2.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine?
The IUPAC name of 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine (CID 86723231) is 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine.
What is the SMILES notation for 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine?
The canonical SMILES for 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine is CCn1cnc2c(-c3ccc(F)cc3)cnnc21.
What is the InChIKey of 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine?
The InChIKey is UVLBGLSQXYKNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-2-18-8-15-12-11(7-16-17-13(12)18)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine?
7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine has a molecular weight of 242.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-(4-fluorophenyl)imidazo[4,5-c]pyridazine is sourced from PubChem (CID 86723231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).