1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine

C11H8BrFN4O — CID 59321285

IUPAC1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)c2nnc3c(C)nc(Br)n3c2c1
InChIInChI=1S/C11H8BrFN4O/c1-5-10-16-15-9-7(13)3-6(18-2)4-8(9)17(10)11(12)14-5/h3-4H,1-2H3
InChIKeyGKMGYXMUMMWVMA-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.50
Rot. Bonds1

About 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine

1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 59321285) has the molecular formula C11H8BrFN4O and a molecular weight of 311.11 g/mol. Its IUPAC name is 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID59321285
Molecular FormulaC11H8BrFN4O
Molecular Weight311.11 g/mol
Exact Mass309.99
IUPAC Name1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)c2nnc3c(C)nc(Br)n3c2c1
InChIInChI=1S/C11H8BrFN4O/c1-5-10-16-15-9-7(13)3-6(18-2)4-8(9)17(10)11(12)14-5/h3-4H,1-2H3
InChIKeyGKMGYXMUMMWVMA-UHFFFAOYSA-N
XLogP2.50
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 59321269
1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 68599250
6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 46200399
1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 110173676
2,6-dibromo-4-methoxypyridine
CID 10901569
4-bromo-8-fluoro-6-methoxyquinolin-3-amine
CID 68576477
8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline
CID 859848
4-(2,6-difluoro-4-methoxyphenyl)-1,3,5-trimethylpyrazole
CID 142521622
7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46199931
(2-bromo-3-fluoro-5-methoxyphenoxy)-tert-butyl-dimethylsilane
CID 167724287
4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 58065677
1-(2-chlorophenyl)-6-fluoro-8-methoxy-3-methylpyrazolo[3,4-c]cinnoline
CID 73387860

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 59321285) is 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1cc(F)c2nnc3c(C)nc(Br)n3c2c1.
What is the InChIKey of 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is GKMGYXMUMMWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O/c1-5-10-16-15-9-7(13)3-6(18-2)4-8(9)17(10)11(12)14-5/h3-4H,1-2H3.
What are the key properties of 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 311.11 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 59321285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).