3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine

C17H12F3N3S — CID 8699888

IUPAC3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
SMILESFC(F)(F)c1cccc(CSc2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C17H12F3N3S/c18-17(19,20)14-5-1-3-12(9-14)11-24-16-7-6-15(22-23-16)13-4-2-8-21-10-13/h1-10H,11H2
InChIKeyRKQKDVKXVDPOAT-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.85
Rot. Bonds4

About 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine

3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine (PubChem CID 8699888) has the molecular formula C17H12F3N3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
PubChem CID8699888
Molecular FormulaC17H12F3N3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
SMILESFC(F)(F)c1cccc(CSc2ccc(-c3cccnc3)nn2)c1
InChIInChI=1S/C17H12F3N3S/c18-17(19,20)14-5-1-3-12(9-14)11-24-16-7-6-15(22-23-16)13-4-2-8-21-10-13/h1-10H,11H2
InChIKeyRKQKDVKXVDPOAT-UHFFFAOYSA-N
XLogP4.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine 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

3-(2-methoxyphenyl)-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 43936926
3-[4-benzyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 35774140
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
CID 7207491
2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 6402505
3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoic acid
CID 42763696
3-[5-[(3-fluorophenyl)methylsulfanyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine
CID 24718535
3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
CID 7162432
N,N-dimethyl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-sulfonamide
CID 30123931
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
3-(3,4-dimethoxyphenyl)-6-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 41376799
2-phenyl-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[1,5-a]pyrazine
CID 27372818
3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
CID 43936866

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine?
The IUPAC name of 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine (CID 8699888) is 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine.
What is the SMILES notation for 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine?
The canonical SMILES for 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine is FC(F)(F)c1cccc(CSc2ccc(-c3cccnc3)nn2)c1.
What is the InChIKey of 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine?
The InChIKey is RKQKDVKXVDPOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3S/c18-17(19,20)14-5-1-3-12(9-14)11-24-16-7-6-15(22-23-16)13-4-2-8-21-10-13/h1-10H,11H2.
What are the key properties of 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine?
3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine has a molecular weight of 347.37 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine is sourced from PubChem (CID 8699888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).