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

C18H14F2N4O — CID 68596639

IUPAC8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)cc2c1nnc1c(C)nc(-c3cccc(F)c3C)n12
InChIInChI=1S/C18H14F2N4O/c1-9-12(5-4-6-13(9)20)18-21-10(2)17-23-22-16-14(24(17)18)7-11(19)8-15(16)25-3/h4-8H,1-3H3
InChIKeyNZCMIAMNCOZWCF-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.85
Rot. Bonds2

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

8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 68596639) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID68596639
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)cc2c1nnc1c(C)nc(-c3cccc(F)c3C)n12
InChIInChI=1S/C18H14F2N4O/c1-9-12(5-4-6-13(9)20)18-21-10(2)17-23-22-16-14(24(17)18)7-11(19)8-15(16)25-3/h4-8H,1-3H3
InChIKeyNZCMIAMNCOZWCF-UHFFFAOYSA-N
XLogP3.85
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine with MolForge

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Related Compounds

1-(2-Chlorophenyl)-6,8-Dimethoxy-3-Methylimidazo[5,1-C][1,2,4]benzotriazine
CID 60150358
2-(2,6-Difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-methoxy-benzimidazole
CID 492672
3-(2-Fluoro-5-methoxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46200734
Triazolo-pyridine derivative 5
CID 71295652
8-Fluoro-6-methoxy-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
CID 42630193
8-Fluoro-6-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline
CID 42630315
N-(2,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295765
1-Methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1415680
US11419874, Example 5
CID 110173727
1-Methyl-4-(4-methylphenoxy)[1,2,4]triazolo[4,3-a]quinoxaline
CID 660063
1-Ethyl-7-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-ylamine
CID 13385828
6-Ethoxy-8-fluoro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
CID 42630438

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 68596639) is 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1cc(F)cc2c1nnc1c(C)nc(-c3cccc(F)c3C)n12.
What is the InChIKey of 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is NZCMIAMNCOZWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c1-9-12(5-4-6-13(9)20)18-21-10(2)17-23-22-16-14(24(17)18)7-11(19)8-15(16)25-3/h4-8H,1-3H3.
What are the key properties of 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 340.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-(3-fluoro-2-methylphenyl)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 68596639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).