3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine

C9H10F3N3 — CID 51064045

IUPAC3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-4-8(14-13-7)15-5-1-2-6-15/h3-4H,1-2,5-6H2
InChIKeyRRGVSKNPKBUIPD-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.10
Rot. Bonds1

About 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine

3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine (PubChem CID 51064045) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine
PubChem CID51064045
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-4-8(14-13-7)15-5-1-2-6-15/h3-4H,1-2,5-6H2
InChIKeyRRGVSKNPKBUIPD-UHFFFAOYSA-N
XLogP2.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine (CID 51064045) is 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(N2CCCC2)nn1.
What is the InChIKey of 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine?
The InChIKey is RRGVSKNPKBUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)7-3-4-8(14-13-7)15-5-1-2-6-15/h3-4H,1-2,5-6H2.
What are the key properties of 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine?
3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine has a molecular weight of 217.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 51064045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).