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

C7H5BrF2N4 — CID 22329502

IUPAC7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine
SMILESCC(F)(F)c1cnn2c(Br)cnc2n1
InChIInChI=1S/C7H5BrF2N4/c1-7(9,10)4-2-12-14-5(8)3-11-6(14)13-4/h2-3H,1H3
InChIKeyNMKZRKGYKXUAIE-UHFFFAOYSA-N
MW263.05 g/mol
LogP2.00
Rot. Bonds1

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

7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 22329502) has the molecular formula C7H5BrF2N4 and a molecular weight of 263.05 g/mol. Its IUPAC name is 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine
PubChem CID22329502
Molecular FormulaC7H5BrF2N4
Molecular Weight263.05 g/mol
Exact Mass261.97
IUPAC Name7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine
SMILESCC(F)(F)c1cnn2c(Br)cnc2n1
InChIInChI=1S/C7H5BrF2N4/c1-7(9,10)4-2-12-14-5(8)3-11-6(14)13-4/h2-3H,1H3
InChIKeyNMKZRKGYKXUAIE-UHFFFAOYSA-N
XLogP2.00
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.05
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine (CID 22329502) is 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine is CC(F)(F)c1cnn2c(Br)cnc2n1.
What is the InChIKey of 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is NMKZRKGYKXUAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N4/c1-7(9,10)4-2-12-14-5(8)3-11-6(14)13-4/h2-3H,1H3.
What are the key properties of 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine?
7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 263.05 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1,1-difluoroethyl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 22329502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).