6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine

C16H11F3N4OS — CID 59321314

IUPAC6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(C(F)(F)F)cc2c1nnc1c(C)nc(-c3cccs3)n12
InChIInChI=1S/C16H11F3N4OS/c1-8-14-22-21-13-10(6-9(16(17,18)19)7-11(13)24-2)23(14)15(20-8)12-4-3-5-25-12/h3-7H,1-2H3
InChIKeyZCGHWEWHRQAQDB-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.34
Rot. Bonds2

About 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine

6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 59321314) has the molecular formula C16H11F3N4OS and a molecular weight of 364.35 g/mol. Its IUPAC name is 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
PubChem CID59321314
Molecular FormulaC16H11F3N4OS
Molecular Weight364.35 g/mol
Exact Mass364.06
IUPAC Name6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(C(F)(F)F)cc2c1nnc1c(C)nc(-c3cccs3)n12
InChIInChI=1S/C16H11F3N4OS/c1-8-14-22-21-13-10(6-9(16(17,18)19)7-11(13)24-2)23(14)15(20-8)12-4-3-5-25-12/h3-7H,1-2H3
InChIKeyZCGHWEWHRQAQDB-UHFFFAOYSA-N
XLogP4.34
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine (CID 59321314) is 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine is COc1cc(C(F)(F)F)cc2c1nnc1c(C)nc(-c3cccs3)n12.
What is the InChIKey of 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is ZCGHWEWHRQAQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4OS/c1-8-14-22-21-13-10(6-9(16(17,18)19)7-11(13)24-2)23(14)15(20-8)12-4-3-5-25-12/h3-7H,1-2H3.
What are the key properties of 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine?
6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 364.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 59321314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).