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

C8H8BrFN4 — CID 11459593

IUPAC7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine
SMILESCC(C)(F)c1cnn2c(Br)cnc2n1
InChIInChI=1S/C8H8BrFN4/c1-8(2,10)5-3-12-14-6(9)4-11-7(14)13-5/h3-4H,1-2H3
InChIKeyRMISJEHRCNTDKY-UHFFFAOYSA-N
MW259.08 g/mol
LogP2.09
Rot. Bonds1

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

7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 11459593) has the molecular formula C8H8BrFN4 and a molecular weight of 259.08 g/mol. Its IUPAC name is 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine
PubChem CID11459593
Molecular FormulaC8H8BrFN4
Molecular Weight259.08 g/mol
Exact Mass257.99
IUPAC Name7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine
SMILESCC(C)(F)c1cnn2c(Br)cnc2n1
InChIInChI=1S/C8H8BrFN4/c1-8(2,10)5-3-12-14-6(9)4-11-7(14)13-5/h3-4H,1-2H3
InChIKeyRMISJEHRCNTDKY-UHFFFAOYSA-N
XLogP2.09
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine (CID 11459593) is 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine is CC(C)(F)c1cnn2c(Br)cnc2n1.
What is the InChIKey of 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is RMISJEHRCNTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN4/c1-8(2,10)5-3-12-14-6(9)4-11-7(14)13-5/h3-4H,1-2H3.
What are the key properties of 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine?
7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 259.08 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-fluoropropan-2-yl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 11459593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).