6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid

C15H14F3N5O2 — CID 66870572

IUPAC6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C15H14F3N5O2/c16-15(17,18)10-2-1-5-19-13(10)23-8-6-22(7-9-23)12-4-3-11(14(24)25)20-21-12/h1-5H,6-9H2,(H,24,25)
InChIKeyGGRZVLUOGODPME-UHFFFAOYSA-N
MW353.30 g/mol
LogP1.92
Rot. Bonds3

About 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid

6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 66870572) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid
PubChem CID66870572
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C15H14F3N5O2/c16-15(17,18)10-2-1-5-19-13(10)23-8-6-22(7-9-23)12-4-3-11(14(24)25)20-21-12/h1-5H,6-9H2,(H,24,25)
InChIKeyGGRZVLUOGODPME-UHFFFAOYSA-N
XLogP1.92
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid (CID 66870572) is 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is GGRZVLUOGODPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c16-15(17,18)10-2-1-5-19-13(10)23-8-6-22(7-9-23)12-4-3-11(14(24)25)20-21-12/h1-5H,6-9H2,(H,24,25).
What are the key properties of 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid?
6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 353.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 66870572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).