6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid

C10H8ClF3N4O2 — CID 122672692

IUPAC6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(NCCC(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C10H8ClF3N4O2/c11-7-3-5(15-2-1-10(12,13)14)8-16-4-6(9(19)20)18(8)17-7/h3-4,15H,1-2H2,(H,19,20)
InChIKeyRGJXCOZDYUEXOR-UHFFFAOYSA-N
MW308.65 g/mol
LogP2.45
Rot. Bonds4

About 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid

6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 122672692) has the molecular formula C10H8ClF3N4O2 and a molecular weight of 308.65 g/mol. Its IUPAC name is 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID122672692
Molecular FormulaC10H8ClF3N4O2
Molecular Weight308.65 g/mol
Exact Mass308.03
IUPAC Name6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1cnc2c(NCCC(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C10H8ClF3N4O2/c11-7-3-5(15-2-1-10(12,13)14)8-16-4-6(9(19)20)18(8)17-7/h3-4,15H,1-2H2,(H,19,20)
InChIKeyRGJXCOZDYUEXOR-UHFFFAOYSA-N
XLogP2.45
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 122672692) is 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1cnc2c(NCCC(F)(F)F)cc(Cl)nn12.
What is the InChIKey of 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is RGJXCOZDYUEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O2/c11-7-3-5(15-2-1-10(12,13)14)8-16-4-6(9(19)20)18(8)17-7/h3-4,15H,1-2H2,(H,19,20).
What are the key properties of 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid?
6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 308.65 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 122672692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).