4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one

C12H6F3N3OS — CID 174267749

IUPAC4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)c2cnsc12
InChIInChI=1S/C12H6F3N3OS/c13-12(14,15)7-3-1-6(2-4-7)9-8-5-16-20-10(8)11(19)18-17-9/h1-5H,(H,18,19)
InChIKeyLWDUBKUPOWCBOJ-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.07
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one

4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one (PubChem CID 174267749) has the molecular formula C12H6F3N3OS and a molecular weight of 297.26 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one
PubChem CID174267749
Molecular FormulaC12H6F3N3OS
Molecular Weight297.26 g/mol
Exact Mass297.02
IUPAC Name4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)c2cnsc12
InChIInChI=1S/C12H6F3N3OS/c13-12(14,15)7-3-1-6(2-4-7)9-8-5-16-20-10(8)11(19)18-17-9/h1-5H,(H,18,19)
InChIKeyLWDUBKUPOWCBOJ-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one 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

2-[4-(trifluoromethyl)phenyl]-6H-thieno[2,3-d]pyridazin-7-one
CID 11666508
3-propan-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 132587754
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 42873937
tert-butyl formate;3-[4-(trifluoromethyl)phenyl]-1H-indazole
CID 174630366
N-[(3R)-1-methylpiperidin-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]pyridazin-7-amine
CID 174266279
4-[4-[difluoro(phosphanyl)methyl]phenyl]-5-phosphanyl-2H-phthalazin-1-one
CID 169259306
S-[[7-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-yl]] N,N-dimethylcarbamothioate
CID 142739255
4-bromo-6-(trifluoromethyl)-2H-phthalazin-1-one
CID 162363983
4-(4-aminophenyl)-5-(trifluoromethyl)-2H-phthalazin-1-one
CID 68753469
3-phenyl-N-[4-(trifluoromethyl)phenyl]-1H-indazol-6-amine
CID 10215490
3-amino-6-[4-(trifluoromethyl)phenyl]-1H-pyrazin-2-one
CID 178183729
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one (CID 174267749) is 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one is O=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)c2cnsc12.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one?
The InChIKey is LWDUBKUPOWCBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3OS/c13-12(14,15)7-3-1-6(2-4-7)9-8-5-16-20-10(8)11(19)18-17-9/h1-5H,(H,18,19).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one?
4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one has a molecular weight of 297.26 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-6H-[1,2]thiazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 174267749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).