7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine

C6H4BrF3N4 — CID 173203016

IUPAC7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine
SMILESFC(F)(F)N1C=Nn2c(Br)cnc2C1
InChIInChI=1S/C6H4BrF3N4/c7-4-1-11-5-2-13(6(8,9)10)3-12-14(4)5/h1,3H,2H2
InChIKeyDFTMDHJKUHAWJH-UHFFFAOYSA-N
MW269.02 g/mol
LogP1.77
Rot. Bonds

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

7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine (PubChem CID 173203016) has the molecular formula C6H4BrF3N4 and a molecular weight of 269.02 g/mol. Its IUPAC name is 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine
PubChem CID173203016
Molecular FormulaC6H4BrF3N4
Molecular Weight269.02 g/mol
Exact Mass267.96
IUPAC Name7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine
SMILESFC(F)(F)N1C=Nn2c(Br)cnc2C1
InChIInChI=1S/C6H4BrF3N4/c7-4-1-11-5-2-13(6(8,9)10)3-12-14(4)5/h1,3H,2H2
InChIKeyDFTMDHJKUHAWJH-UHFFFAOYSA-N
XLogP1.77
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine (CID 173203016) is 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine is FC(F)(F)N1C=Nn2c(Br)cnc2C1.
What is the InChIKey of 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine?
The InChIKey is DFTMDHJKUHAWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF3N4/c7-4-1-11-5-2-13(6(8,9)10)3-12-14(4)5/h1,3H,2H2.
What are the key properties of 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine?
7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine has a molecular weight of 269.02 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(trifluoromethyl)-4H-imidazo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 173203016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).