7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine

C13H8BrF3N4 — CID 22240107

IUPAC7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
SMILESCc1ccc(-c2cnc3nc(C(F)(F)F)cnn23)cc1Br
InChIInChI=1S/C13H8BrF3N4/c1-7-2-3-8(4-9(7)14)10-5-18-12-20-11(13(15,16)17)6-19-21(10)12/h2-6H,1H3
InChIKeyXWAVRRSVAKMKQW-UHFFFAOYSA-N
MW357.13 g/mol
LogP3.88
Rot. Bonds1

About 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine

7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 22240107) has the molecular formula C13H8BrF3N4 and a molecular weight of 357.13 g/mol. Its IUPAC name is 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
PubChem CID22240107
Molecular FormulaC13H8BrF3N4
Molecular Weight357.13 g/mol
Exact Mass355.99
IUPAC Name7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
SMILESCc1ccc(-c2cnc3nc(C(F)(F)F)cnn23)cc1Br
InChIInChI=1S/C13H8BrF3N4/c1-7-2-3-8(4-9(7)14)10-5-18-12-20-11(13(15,16)17)6-19-21(10)12/h2-6H,1H3
InChIKeyXWAVRRSVAKMKQW-UHFFFAOYSA-N
XLogP3.88
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine (CID 22240107) is 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine is Cc1ccc(-c2cnc3nc(C(F)(F)F)cnn23)cc1Br.
What is the InChIKey of 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is XWAVRRSVAKMKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N4/c1-7-2-3-8(4-9(7)14)10-5-18-12-20-11(13(15,16)17)6-19-21(10)12/h2-6H,1H3.
What are the key properties of 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine?
7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 357.13 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 22240107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).