6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile

C9H5ClF3N5 — CID 86641382

IUPAC6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2c(NCC(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C9H5ClF3N5/c10-7-1-6(16-4-9(11,12)13)8-15-3-5(2-14)18(8)17-7/h1,3,16H,4H2
InChIKeyFDPUPJJUJGUKNW-UHFFFAOYSA-N
MW275.62 g/mol
LogP2.23
Rot. Bonds2

About 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile

6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 86641382) has the molecular formula C9H5ClF3N5 and a molecular weight of 275.62 g/mol. Its IUPAC name is 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID86641382
Molecular FormulaC9H5ClF3N5
Molecular Weight275.62 g/mol
Exact Mass275.02
IUPAC Name6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2c(NCC(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C9H5ClF3N5/c10-7-1-6(16-4-9(11,12)13)8-15-3-5(2-14)18(8)17-7/h1,3,16H,4H2
InChIKeyFDPUPJJUJGUKNW-UHFFFAOYSA-N
XLogP2.23
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.62
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile (CID 86641382) is 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnc2c(NCC(F)(F)F)cc(Cl)nn12.
What is the InChIKey of 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is FDPUPJJUJGUKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N5/c10-7-1-6(16-4-9(11,12)13)8-15-3-5(2-14)18(8)17-7/h1,3,16H,4H2.
What are the key properties of 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile?
6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 275.62 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(2,2,2-trifluoroethylamino)imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 86641382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).