1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

C11H8F3N3S — CID 3062855

IUPAC1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESCc1nnc2n1-c1cc(C(F)(F)F)ccc1SC2
InChIInChI=1S/C11H8F3N3S/c1-6-15-16-10-5-18-9-3-2-7(11(12,13)14)4-8(9)17(6)10/h2-4H,5H2,1H3
InChIKeyFLZFMRAGCHNHLJ-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.20
Rot. Bonds

About 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (PubChem CID 3062855) has the molecular formula C11H8F3N3S and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.

Molecular Properties

Compound Name1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
PubChem CID3062855
Molecular FormulaC11H8F3N3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine
SMILESCc1nnc2n1-c1cc(C(F)(F)F)ccc1SC2
InChIInChI=1S/C11H8F3N3S/c1-6-15-16-10-5-18-9-3-2-7(11(12,13)14)4-8(9)17(6)10/h2-4H,5H2,1H3
InChIKeyFLZFMRAGCHNHLJ-UHFFFAOYSA-N
XLogP3.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The IUPAC name of 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine (CID 3062855) is 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine.
What is the SMILES notation for 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The canonical SMILES for 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is Cc1nnc2n1-c1cc(C(F)(F)F)ccc1SC2.
What is the InChIKey of 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
The InChIKey is FLZFMRAGCHNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3S/c1-6-15-16-10-5-18-9-3-2-7(11(12,13)14)4-8(9)17(6)10/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine?
1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine has a molecular weight of 271.27 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(trifluoromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine is sourced from PubChem (CID 3062855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).