6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C16H15F3N6 — CID 583377

IUPAC6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCN(c4ccccc4)CC3)nn12
InChIInChI=1S/C16H15F3N6/c17-16(18,19)15-21-20-13-6-7-14(22-25(13)15)24-10-8-23(9-11-24)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyFPANLGWEGGGQOP-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.47
Rot. Bonds2

About 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 583377) has the molecular formula C16H15F3N6 and a molecular weight of 348.33 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID583377
Molecular FormulaC16H15F3N6
Molecular Weight348.33 g/mol
Exact Mass348.13
IUPAC Name6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCN(c4ccccc4)CC3)nn12
InChIInChI=1S/C16H15F3N6/c17-16(18,19)15-21-20-13-6-7-14(22-25(13)15)24-10-8-23(9-11-24)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyFPANLGWEGGGQOP-UHFFFAOYSA-N
XLogP2.47
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 583377) is 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCN(c4ccccc4)CC3)nn12.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FPANLGWEGGGQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6/c17-16(18,19)15-21-20-13-6-7-14(22-25(13)15)24-10-8-23(9-11-24)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 348.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 583377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).