3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine

C10H12F3N3 — CID 135135396

IUPAC3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(CC2CCNC2)nn1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-2-1-8(15-16-9)5-7-3-4-14-6-7/h1-2,7,14H,3-6H2
InChIKeyVHYNXKXYPQKDLP-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.65
Rot. Bonds2

About 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine

3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine (PubChem CID 135135396) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine
PubChem CID135135396
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(CC2CCNC2)nn1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-2-1-8(15-16-9)5-7-3-4-14-6-7/h1-2,7,14H,3-6H2
InChIKeyVHYNXKXYPQKDLP-UHFFFAOYSA-N
XLogP1.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine (CID 135135396) is 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(CC2CCNC2)nn1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine?
The InChIKey is VHYNXKXYPQKDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)9-2-1-8(15-16-9)5-7-3-4-14-6-7/h1-2,7,14H,3-6H2.
What are the key properties of 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine?
3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine has a molecular weight of 231.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 135135396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).