3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine

C13H12F3N3S — CID 124614724

IUPAC3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCC[C@H]2c2cccs2)nn1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)11-5-6-12(18-17-11)19-7-1-3-9(19)10-4-2-8-20-10/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1
InChIKeyLBISQKZCGYGHIV-VIFPVBQESA-N
MW299.32 g/mol
LogP3.90
Rot. Bonds2

About 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 124614724) has the molecular formula C13H12F3N3S and a molecular weight of 299.32 g/mol. Its IUPAC name is 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID124614724
Molecular FormulaC13H12F3N3S
Molecular Weight299.32 g/mol
Exact Mass299.07
IUPAC Name3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CCC[C@H]2c2cccs2)nn1
InChIInChI=1S/C13H12F3N3S/c14-13(15,16)11-5-6-12(18-17-11)19-7-1-3-9(19)10-4-2-8-20-10/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1
InChIKeyLBISQKZCGYGHIV-VIFPVBQESA-N
XLogP3.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methylpiperidin-1-yl)-6-thien-2-ylpyridazine
CID 20970036
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CID 20970001
3-Piperazin-1-yl-6-(2-thienyl)pyridazine
CID 24252645
(3aS,6aR)-4-(6-methylpyridazin-3-yl)-1-(thiophen-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97386536
6,6-Difluoro-2-(6-methylpyridazin-3-yl)-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 118744575
2-Methyl-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4773204
1-[[5-Thiophen-2-yl-1-(trifluoromethyl)pyrazol-3-yl]methyl]piperidine
CID 140579505
N-(2,5-dimethylpyrazol-3-yl)-N-(2-thiophen-2-ylcyclopropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 150198918
2,2,2-Trifluoro-1-(4-(6-(thiophen-2-yl)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 41233238
N-(2-thiophen-2-ylethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 81761512
N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 81761528
N-[(5-methylthiophen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 81836558

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 124614724) is 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(N2CCC[C@H]2c2cccs2)nn1.
What is the InChIKey of 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is LBISQKZCGYGHIV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12F3N3S/c14-13(15,16)11-5-6-12(18-17-11)19-7-1-3-9(19)10-4-2-8-20-10/h2,4-6,8-9H,1,3,7H2/t9-/m0/s1.
What are the key properties of 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 299.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 124614724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).