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

C17H11ClF2N4O — CID 68599250

IUPAC1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)cc2c1nnc1c(C)nc(-c3cc(Cl)ccc3F)n12
InChIInChI=1S/C17H11ClF2N4O/c1-8-16-23-22-15-13(6-10(19)7-14(15)25-2)24(16)17(21-8)11-5-9(18)3-4-12(11)20/h3-7H,1-2H3
InChIKeyXFZWQRLPATYJKR-UHFFFAOYSA-N
MW360.75 g/mol
LogP4.19
Rot. Bonds2

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

1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (PubChem CID 68599250) has the molecular formula C17H11ClF2N4O and a molecular weight of 360.75 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
PubChem CID68599250
Molecular FormulaC17H11ClF2N4O
Molecular Weight360.75 g/mol
Exact Mass360.06
IUPAC Name1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
SMILESCOc1cc(F)cc2c1nnc1c(C)nc(-c3cc(Cl)ccc3F)n12
InChIInChI=1S/C17H11ClF2N4O/c1-8-16-23-22-15-13(6-10(19)7-14(15)25-2)24(16)17(21-8)11-5-9(18)3-4-12(11)20/h3-7H,1-2H3
InChIKeyXFZWQRLPATYJKR-UHFFFAOYSA-N
XLogP4.19
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-6,8-difluoro-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 110173676
1-(5-fluoro-2-methylphenyl)-6-methoxy-3-methyl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 59321333
7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46199931
8-fluoro-6-methoxy-3,4-dimethyl-1-(2-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630192
8-fluoro-6-methoxy-3,4-dimethyl-1-(4-methyl-3-pyridinyl)imidazo[1,5-a]quinoxaline
CID 42630190
6-methoxy-3-methyl-1-thiophen-2-yl-8-(trifluoromethyl)imidazo[5,1-c][1,2,4]benzotriazine
CID 59321314
1-bromo-6-fluoro-8-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 59321285
3-(2,5-dichlorophenyl)-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 59321218
3-(4-chloro-2-methoxyphenyl)-4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazole
CID 58243839
3-(4-chloro-2-fluorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629470
1-(2-chlorophenyl)-6-fluoro-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71295682
3-(5-chloro-2-fluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301025

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine (CID 68599250) is 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is COc1cc(F)cc2c1nnc1c(C)nc(-c3cc(Cl)ccc3F)n12.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
The InChIKey is XFZWQRLPATYJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O/c1-8-16-23-22-15-13(6-10(19)7-14(15)25-2)24(16)17(21-8)11-5-9(18)3-4-12(11)20/h3-7H,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine?
1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine has a molecular weight of 360.75 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine is sourced from PubChem (CID 68599250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).