3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine

C10H12ClF3N4 — CID 114478281

IUPAC3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESFC(F)(F)CN1CCN(c2cnnc(Cl)c2)CC1
InChIInChI=1S/C10H12ClF3N4/c11-9-5-8(6-15-16-9)18-3-1-17(2-4-18)7-10(12,13)14/h5-6H,1-4,7H2
InChIKeyOGCZOOTVWSRLGO-UHFFFAOYSA-N
MW280.68 g/mol
LogP1.81
Rot. Bonds2

About 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine

3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (PubChem CID 114478281) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
PubChem CID114478281
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC Name3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESFC(F)(F)CN1CCN(c2cnnc(Cl)c2)CC1
InChIInChI=1S/C10H12ClF3N4/c11-9-5-8(6-15-16-9)18-3-1-17(2-4-18)7-10(12,13)14/h5-6H,1-4,7H2
InChIKeyOGCZOOTVWSRLGO-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (CID 114478281) is 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is FC(F)(F)CN1CCN(c2cnnc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The InChIKey is OGCZOOTVWSRLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c11-9-5-8(6-15-16-9)18-3-1-17(2-4-18)7-10(12,13)14/h5-6H,1-4,7H2.
What are the key properties of 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine has a molecular weight of 280.68 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 114478281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).