3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine

C15H14ClF3N4 — CID 15124599

IUPAC3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine
SMILESFC(F)(F)c1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C15H14ClF3N4/c16-13-4-5-14(21-20-13)23-8-6-22(7-9-23)12-3-1-2-11(10-12)15(17,18)19/h1-5,10H,6-9H2
InChIKeyUGDVOXWLHOIMPF-UHFFFAOYSA-N
MW342.75 g/mol
LogP3.48
Rot. Bonds2

About 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine

3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine (PubChem CID 15124599) has the molecular formula C15H14ClF3N4 and a molecular weight of 342.75 g/mol. Its IUPAC name is 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine
PubChem CID15124599
Molecular FormulaC15H14ClF3N4
Molecular Weight342.75 g/mol
Exact Mass342.09
IUPAC Name3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine
SMILESFC(F)(F)c1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C15H14ClF3N4/c16-13-4-5-14(21-20-13)23-8-6-22(7-9-23)12-3-1-2-11(10-12)15(17,18)19/h1-5,10H,6-9H2
InChIKeyUGDVOXWLHOIMPF-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine (CID 15124599) is 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine is FC(F)(F)c1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine?
The InChIKey is UGDVOXWLHOIMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4/c16-13-4-5-14(21-20-13)23-8-6-22(7-9-23)12-3-1-2-11(10-12)15(17,18)19/h1-5,10H,6-9H2.
What are the key properties of 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine?
3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine has a molecular weight of 342.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 15124599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).