3-piperidin-1-yl-5-(trifluoromethyl)pyridazine

C10H12F3N3 — CID 174349064

IUPAC3-piperidin-1-yl-5-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cnnc(N2CCCCC2)c1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-6-9(15-14-7-8)16-4-2-1-3-5-16/h6-7H,1-5H2
InChIKeyLMDHLRNEWFEGAH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.49
Rot. Bonds1

About 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine

3-piperidin-1-yl-5-(trifluoromethyl)pyridazine (PubChem CID 174349064) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-piperidin-1-yl-5-(trifluoromethyl)pyridazine
PubChem CID174349064
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name3-piperidin-1-yl-5-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cnnc(N2CCCCC2)c1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-6-9(15-14-7-8)16-4-2-1-3-5-16/h6-7H,1-5H2
InChIKeyLMDHLRNEWFEGAH-UHFFFAOYSA-N
XLogP2.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine (CID 174349064) is 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine is FC(F)(F)c1cnnc(N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine?
The InChIKey is LMDHLRNEWFEGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-6-9(15-14-7-8)16-4-2-1-3-5-16/h6-7H,1-5H2.
What are the key properties of 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine?
3-piperidin-1-yl-5-(trifluoromethyl)pyridazine has a molecular weight of 231.22 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 174349064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).