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

C16H13FN4OS — CID 46200878

IUPAC6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)c2nnc3c(C)nc(-c4sccc4C)n3c2c1
InChIInChI=1S/C16H13FN4OS/c1-8-4-5-23-14(8)16-18-9(2)15-20-19-13-11(17)6-10(22-3)7-12(13)21(15)16/h4-7H,1-3H3
InChIKeyBLODSLLFPYATAO-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.77
Rot. Bonds2

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

6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 46200878) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine
PubChem CID46200878
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)c2nnc3c(C)nc(-c4sccc4C)n3c2c1
InChIInChI=1S/C16H13FN4OS/c1-8-4-5-23-14(8)16-18-9(2)15-20-19-13-11(17)6-10(22-3)7-12(13)21(15)16/h4-7H,1-3H3
InChIKeyBLODSLLFPYATAO-UHFFFAOYSA-N
XLogP3.77
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine (CID 46200878) is 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine is COc1cc(F)c2nnc3c(C)nc(-c4sccc4C)n3c2c1.
What is the InChIKey of 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is BLODSLLFPYATAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c1-8-4-5-23-14(8)16-18-9(2)15-20-19-13-11(17)6-10(22-3)7-12(13)21(15)16/h4-7H,1-3H3.
What are the key properties of 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine?
6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 328.37 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methoxy-3-methyl-1-(3-methylthiophen-2-yl)imidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 46200878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).