3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine

C13H11FN4 — CID 52941940

IUPAC3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C13H11FN4/c1-15-12-6-7-13-16-8-11(18(13)17-12)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,15,17)
InChIKeyZVPZLFAIHCCXLL-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.58
Rot. Bonds2

About 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine

3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 52941940) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
PubChem CID52941940
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESCNc1ccc2ncc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C13H11FN4/c1-15-12-6-7-13-16-8-11(18(13)17-12)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,15,17)
InChIKeyZVPZLFAIHCCXLL-UHFFFAOYSA-N
XLogP2.58
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine (CID 52941940) is 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine is CNc1ccc2ncc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ZVPZLFAIHCCXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-15-12-6-7-13-16-8-11(18(13)17-12)9-2-4-10(14)5-3-9/h2-8H,1H3,(H,15,17).
What are the key properties of 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine?
3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 242.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 52941940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).