4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine

C15H13F3N6S — CID 133433651

IUPAC4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(N2CCN(c3ncnc4sccc34)CC2)nn1
InChIInChI=1S/C15H13F3N6S/c16-15(17,18)11-1-2-12(22-21-11)23-4-6-24(7-5-23)13-10-3-8-25-14(10)20-9-19-13/h1-3,8-9H,4-7H2
InChIKeyWXUZITGLRMONBW-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.83
Rot. Bonds2

About 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine

4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133433651) has the molecular formula C15H13F3N6S and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133433651
Molecular FormulaC15H13F3N6S
Molecular Weight366.37 g/mol
Exact Mass366.09
IUPAC Name4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(N2CCN(c3ncnc4sccc34)CC2)nn1
InChIInChI=1S/C15H13F3N6S/c16-15(17,18)11-1-2-12(22-21-11)23-4-6-24(7-5-23)13-10-3-8-25-14(10)20-9-19-13/h1-3,8-9H,4-7H2
InChIKeyWXUZITGLRMONBW-UHFFFAOYSA-N
XLogP2.83
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163345062
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163343513
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 171994938
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
2-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanethioamide
CID 63342372
5-chloro-6-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 139027073
4-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 112814914
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 9109711
N,N-dimethyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 155976248

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 133433651) is 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine is FC(F)(F)c1ccc(N2CCN(c3ncnc4sccc34)CC2)nn1.
What is the InChIKey of 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is WXUZITGLRMONBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6S/c16-15(17,18)11-1-2-12(22-21-11)23-4-6-24(7-5-23)13-10-3-8-25-14(10)20-9-19-13/h1-3,8-9H,4-7H2.
What are the key properties of 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine?
4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 366.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133433651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).