3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine

C10H14F3N4O+ — CID 6415807

IUPAC3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine
SMILESFC(F)(F)COc1ccc(N2CC[NH2+]CC2)nn1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-18-9-2-1-8(15-16-9)17-5-3-14-4-6-17/h1-2,14H,3-7H2/p+1
InChIKeyLNZFSQDUPMRFIG-UHFFFAOYSA-O
MW263.24 g/mol
LogP-0.20
Rot. Bonds3

About 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine

3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine (PubChem CID 6415807) has the molecular formula C10H14F3N4O+ and a molecular weight of 263.24 g/mol. Its IUPAC name is 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine.

Molecular Properties

Compound Name3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine
PubChem CID6415807
Molecular FormulaC10H14F3N4O+
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Name3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine
SMILESFC(F)(F)COc1ccc(N2CC[NH2+]CC2)nn1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)7-18-9-2-1-8(15-16-9)17-5-3-14-4-6-17/h1-2,14H,3-7H2/p+1
InChIKeyLNZFSQDUPMRFIG-UHFFFAOYSA-O
XLogP-0.20
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine?
The IUPAC name of 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine (CID 6415807) is 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine.
What is the SMILES notation for 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine?
The canonical SMILES for 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine is FC(F)(F)COc1ccc(N2CC[NH2+]CC2)nn1.
What is the InChIKey of 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine?
The InChIKey is LNZFSQDUPMRFIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)7-18-9-2-1-8(15-16-9)17-5-3-14-4-6-17/h1-2,14H,3-7H2/p+1.
What are the key properties of 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine?
3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine has a molecular weight of 263.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-4-ium-1-yl-6-(2,2,2-trifluoroethoxy)pyridazine is sourced from PubChem (CID 6415807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).