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

C12H14ClF3N4 — CID 123765403

IUPAC6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCCc1cnc2c(NCC(C)C(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C12H14ClF3N4/c1-3-8-6-18-11-9(4-10(13)19-20(8)11)17-5-7(2)12(14,15)16/h4,6-7,17H,3,5H2,1-2H3
InChIKeyHFXUBYSHMZGSTR-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.56
Rot. Bonds4

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

6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine (PubChem CID 123765403) has the molecular formula C12H14ClF3N4 and a molecular weight of 306.72 g/mol. Its IUPAC name is 6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
PubChem CID123765403
Molecular FormulaC12H14ClF3N4
Molecular Weight306.72 g/mol
Exact Mass306.09
IUPAC Name6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine
SMILESCCc1cnc2c(NCC(C)C(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C12H14ClF3N4/c1-3-8-6-18-11-9(4-10(13)19-20(8)11)17-5-7(2)12(14,15)16/h4,6-7,17H,3,5H2,1-2H3
InChIKeyHFXUBYSHMZGSTR-UHFFFAOYSA-N
XLogP3.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.56
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-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine (CID 123765403) is 6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine is CCc1cnc2c(NCC(C)C(F)(F)F)cc(Cl)nn12.
What is the InChIKey of 6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is HFXUBYSHMZGSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N4/c1-3-8-6-18-11-9(4-10(13)19-20(8)11)17-5-7(2)12(14,15)16/h4,6-7,17H,3,5H2,1-2H3.
What are the key properties of 6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine?
6-chloro-3-ethyl-N-(3,3,3-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 306.72 g/mol, XLogP of 3.56, 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-trifluoro-2-methylpropyl)imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 123765403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).