2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

C14H12F3N5OS — CID 133363499

IUPAC2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
SMILESFC(F)(F)c1nnc2ccc(N3CCOC(c4cccs4)C3)nn12
InChIInChI=1S/C14H12F3N5OS/c15-14(16,17)13-19-18-11-3-4-12(20-22(11)13)21-5-6-23-9(8-21)10-2-1-7-24-10/h1-4,7,9H,5-6,8H2
InChIKeyHZWDZPLCIMXNFT-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.78
Rot. Bonds2

About 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine (PubChem CID 133363499) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine.

Molecular Properties

Compound Name2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
PubChem CID133363499
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC Name2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
SMILESFC(F)(F)c1nnc2ccc(N3CCOC(c4cccs4)C3)nn12
InChIInChI=1S/C14H12F3N5OS/c15-14(16,17)13-19-18-11-3-4-12(20-22(11)13)21-5-6-23-9(8-21)10-2-1-7-24-10/h1-4,7,9H,5-6,8H2
InChIKeyHZWDZPLCIMXNFT-UHFFFAOYSA-N
XLogP2.78
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Morpholin-4-yl-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
CID 5310301
2-thiophen-2-yl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboxamide
CID 71969624
4-[2-Thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 134852627
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 16581966
6-[4-(Thiophen-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 35903039
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 26209425
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 26209428
2-[4-[5-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347828
1-Thiophen-2-yl-2-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholin-3-yl]ethanol
CID 133347830
2-Thiophen-2-yl-4-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 133363601
4-[3-(2-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-thiophen-2-ylmorpholine
CID 133363616
4-[5-Methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-thiophen-2-ylmorpholine
CID 133363756

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The IUPAC name of 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine (CID 133363499) is 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The canonical SMILES for 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine is FC(F)(F)c1nnc2ccc(N3CCOC(c4cccs4)C3)nn12.
What is the InChIKey of 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The InChIKey is HZWDZPLCIMXNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c15-14(16,17)13-19-18-11-3-4-12(20-22(11)13)21-5-6-23-9(8-21)10-2-1-7-24-10/h1-4,7,9H,5-6,8H2.
What are the key properties of 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine has a molecular weight of 355.35 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 133363499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).