7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one

C11H5F3N4OS — CID 135549336

IUPAC7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2c(-c3cccc(C(F)(F)F)c3)nsc12
InChIInChI=1S/C11H5F3N4OS/c12-11(13,14)6-3-1-2-5(4-6)7-8-9(20-17-7)10(19)16-18-15-8/h1-4H,(H,15,16,19)
InChIKeyMJLHLDTZQXFRFT-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.46
Rot. Bonds1

About 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one

7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one (PubChem CID 135549336) has the molecular formula C11H5F3N4OS and a molecular weight of 298.25 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one
PubChem CID135549336
Molecular FormulaC11H5F3N4OS
Molecular Weight298.25 g/mol
Exact Mass298.01
IUPAC Name7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2c(-c3cccc(C(F)(F)F)c3)nsc12
InChIInChI=1S/C11H5F3N4OS/c12-11(13,14)6-3-1-2-5(4-6)7-8-9(20-17-7)10(19)16-18-15-8/h1-4H,(H,15,16,19)
InChIKeyMJLHLDTZQXFRFT-UHFFFAOYSA-N
XLogP2.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3,5-bis(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one
CID 135745141
4-Amino-3-(3-fluorophenyl)-1,2-thiazole-5-carboxamide
CID 65638907
1-[4-Amino-3-(4-fluorophenyl)-5-isothiazolyl]ethanone
CID 1214805
N-methyl 3-(3-trifluoromethylphenyl)-4-amino-5-isothiazolecarboxamide
CID 13073259
3-(3-Trifluoromethylphenyl)-4-amino-5-isothiazolecarboxamide
CID 13073260
3-(alpha,alpha,alpha-Trifluoro-m-Tolyl)-4-Isothiazolecarboxamide
CID 23465073
[4-Amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazol-5-yl]-piperidin-1-ylmethanone
CID 70512506
7-(3-fluorophenyl)-3H-[1,2]thiazolo[4,5-d]triazin-4-one
CID 135745139
3-Methyl-7-[3-(trifluoromethyl)phenyl]-[1,2]thiazolo[4,5-d]triazin-4-one
CID 13802151
4-Amino-3-(2,4-difluorophenyl)-1,2-thiazole-5-carboxamide
CID 65638716
4-Amino-3-(2-fluorophenyl)-1,2-thiazole-5-carboxamide
CID 65638903
4-Amino-3-(3,5-difluorophenyl)-1,2-thiazole-5-carboxamide
CID 65638904

Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The IUPAC name of 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one (CID 135549336) is 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one.
What is the SMILES notation for 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The canonical SMILES for 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one is O=c1[nH]nnc2c(-c3cccc(C(F)(F)F)c3)nsc12.
What is the InChIKey of 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
The InChIKey is MJLHLDTZQXFRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4OS/c12-11(13,14)6-3-1-2-5(4-6)7-8-9(20-17-7)10(19)16-18-15-8/h1-4H,(H,15,16,19).
What are the key properties of 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one?
7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one has a molecular weight of 298.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)phenyl]-3H-[1,2]thiazolo[4,5-d]triazin-4-one is sourced from PubChem (CID 135549336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).