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

C12H9BrF2N4O2 — CID 59321269

IUPAC1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OC(F)F)cc2c1nnc1c(C)nc(Br)n12
InChIInChI=1S/C12H9BrF2N4O2/c1-5-10-18-17-9-7(19(10)11(13)16-5)3-6(21-12(14)15)4-8(9)20-2/h3-4,12H,1-2H3
InChIKeyDPRKEULMJQVTTL-UHFFFAOYSA-N
MW359.13 g/mol
LogP2.96
Rot. Bonds3

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

1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 59321269) has the molecular formula C12H9BrF2N4O2 and a molecular weight of 359.13 g/mol. Its IUPAC name is 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID59321269
Molecular FormulaC12H9BrF2N4O2
Molecular Weight359.13 g/mol
Exact Mass357.99
IUPAC Name1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(OC(F)F)cc2c1nnc1c(C)nc(Br)n12
InChIInChI=1S/C12H9BrF2N4O2/c1-5-10-18-17-9-7(19(10)11(13)16-5)3-6(21-12(14)15)4-8(9)20-2/h3-4,12H,1-2H3
InChIKeyDPRKEULMJQVTTL-UHFFFAOYSA-N
XLogP2.96
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 59321285
6,8-dimethoxy-3-methyl-1-(3-methyl-4-pyridinyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 46200399
1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 68599250
6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 59321314
1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 59321333
6-bromo-3-(difluoromethyl)-8-methoxycinnoline
CID 170901824
2-bromo-4-(difluoromethoxy)-5-methoxyaniline
CID 68604722
5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
CID 130068654
1-(difluoromethoxy)-3,5-dimethylbenzene;ethane
CID 144663718
1,2-dibromo-5-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118841497
1,6,8-trimethoxy-3-methylpyrazolo[3,4-c]cinnoline
CID 73387956
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
CID 80605336

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 59321269) is 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1cc(OC(F)F)cc2c1nnc1c(C)nc(Br)n12.
What is the InChIKey of 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is DPRKEULMJQVTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF2N4O2/c1-5-10-18-17-9-7(19(10)11(13)16-5)3-6(21-12(14)15)4-8(9)20-2/h3-4,12H,1-2H3.
What are the key properties of 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 359.13 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 59321269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).