6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

C11H12ClF3N4 — CID 123437595

IUPAC6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCCc1cnc2c(NCCC(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C11H12ClF3N4/c1-2-7-6-17-10-8(5-9(12)18-19(7)10)16-4-3-11(13,14)15/h5-6,16H,2-4H2,1H3
InChIKeyNPSBBXVLUDXWML-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.31
Rot. Bonds4

About 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine

6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 123437595) has the molecular formula C11H12ClF3N4 and a molecular weight of 292.69 g/mol. Its IUPAC name is 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID123437595
Molecular FormulaC11H12ClF3N4
Molecular Weight292.69 g/mol
Exact Mass292.07
IUPAC Name6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCCc1cnc2c(NCCC(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C11H12ClF3N4/c1-2-7-6-17-10-8(5-9(12)18-19(7)10)16-4-3-11(13,14)15/h5-6,16H,2-4H2,1H3
InChIKeyNPSBBXVLUDXWML-UHFFFAOYSA-N
XLogP3.31
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine (CID 123437595) is 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is CCc1cnc2c(NCCC(F)(F)F)cc(Cl)nn12.
What is the InChIKey of 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is NPSBBXVLUDXWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4/c1-2-7-6-17-10-8(5-9(12)18-19(7)10)16-4-3-11(13,14)15/h5-6,16H,2-4H2,1H3.
What are the key properties of 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 292.69 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 123437595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).