7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine

C7H4BrF3N4 — CID 138576526

IUPAC7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine
SMILESCc1nc(C(F)(F)F)nn2c(Br)cnc12
InChIInChI=1S/C7H4BrF3N4/c1-3-5-12-2-4(8)15(5)14-6(13-3)7(9,10)11/h2H,1H3
InChIKeySWYXWDPJTNUGQD-UHFFFAOYSA-N
MW281.04 g/mol
LogP2.21
Rot. Bonds

About 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine

7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine (PubChem CID 138576526) has the molecular formula C7H4BrF3N4 and a molecular weight of 281.04 g/mol. Its IUPAC name is 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine
PubChem CID138576526
Molecular FormulaC7H4BrF3N4
Molecular Weight281.04 g/mol
Exact Mass279.96
IUPAC Name7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine
SMILESCc1nc(C(F)(F)F)nn2c(Br)cnc12
InChIInChI=1S/C7H4BrF3N4/c1-3-5-12-2-4(8)15(5)14-6(13-3)7(9,10)11/h2H,1H3
InChIKeySWYXWDPJTNUGQD-UHFFFAOYSA-N
XLogP2.21
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.04
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine (CID 138576526) is 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine is Cc1nc(C(F)(F)F)nn2c(Br)cnc12.
What is the InChIKey of 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine?
The InChIKey is SWYXWDPJTNUGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N4/c1-3-5-12-2-4(8)15(5)14-6(13-3)7(9,10)11/h2H,1H3.
What are the key properties of 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine?
7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine has a molecular weight of 281.04 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-2-(trifluoromethyl)imidazo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 138576526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).