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

C10H13F3N4 — CID 126857246

IUPAC3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESFC(F)(F)CN1CCN(c2cccnn2)CC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-16-4-6-17(7-5-16)9-2-1-3-14-15-9/h1-3H,4-8H2
InChIKeyPEUGXDBAARFRBU-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.16
Rot. Bonds2

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

3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (PubChem CID 126857246) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
PubChem CID126857246
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
SMILESFC(F)(F)CN1CCN(c2cccnn2)CC1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-16-4-6-17(7-5-16)9-2-1-3-14-15-9/h1-3H,4-8H2
InChIKeyPEUGXDBAARFRBU-UHFFFAOYSA-N
XLogP1.16
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine (CID 126857246) is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is FC(F)(F)CN1CCN(c2cccnn2)CC1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
The InChIKey is PEUGXDBAARFRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-16-4-6-17(7-5-16)9-2-1-3-14-15-9/h1-3H,4-8H2.
What are the key properties of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine?
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine has a molecular weight of 246.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 126857246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).