5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C11H12F4N4 — CID 169117886

IUPAC5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCC(C)(CC(F)(F)F)c1cc(F)c2cnc(N)nn12
InChIInChI=1S/C11H12F4N4/c1-10(2,5-11(13,14)15)8-3-6(12)7-4-17-9(16)18-19(7)8/h3-4H,5H2,1-2H3,(H2,16,18)
InChIKeyUZYVXRDUPVGYHM-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.68
Rot. Bonds2

About 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169117886) has the molecular formula C11H12F4N4 and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169117886
Molecular FormulaC11H12F4N4
Molecular Weight276.24 g/mol
Exact Mass276.10
IUPAC Name5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCC(C)(CC(F)(F)F)c1cc(F)c2cnc(N)nn12
InChIInChI=1S/C11H12F4N4/c1-10(2,5-11(13,14)15)8-3-6(12)7-4-17-9(16)18-19(7)8/h3-4H,5H2,1-2H3,(H2,16,18)
InChIKeyUZYVXRDUPVGYHM-UHFFFAOYSA-N
XLogP2.68
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169117886) is 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is CC(C)(CC(F)(F)F)c1cc(F)c2cnc(N)nn12.
What is the InChIKey of 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is UZYVXRDUPVGYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N4/c1-10(2,5-11(13,14)15)8-3-6(12)7-4-17-9(16)18-19(7)8/h3-4H,5H2,1-2H3,(H2,16,18).
What are the key properties of 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 276.24 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(4,4,4-trifluoro-2-methylbutan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169117886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).