7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine

C10H14FN5 — CID 123643894

IUPAC7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(c1cnc2c(N)ncnn12)C(C)(C)F
InChIInChI=1S/C10H14FN5/c1-6(10(2,3)11)7-4-13-9-8(12)14-5-15-16(7)9/h4-6H,1-3H3,(H2,12,14,15)
InChIKeyXTKJSLFPAZKDBT-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.56
Rot. Bonds2

About 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine

7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 123643894) has the molecular formula C10H14FN5 and a molecular weight of 223.25 g/mol. Its IUPAC name is 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID123643894
Molecular FormulaC10H14FN5
Molecular Weight223.25 g/mol
Exact Mass223.12
IUPAC Name7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(c1cnc2c(N)ncnn12)C(C)(C)F
InChIInChI=1S/C10H14FN5/c1-6(10(2,3)11)7-4-13-9-8(12)14-5-15-16(7)9/h4-6H,1-3H3,(H2,12,14,15)
InChIKeyXTKJSLFPAZKDBT-UHFFFAOYSA-N
XLogP1.56
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 123643894) is 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine is CC(c1cnc2c(N)ncnn12)C(C)(C)F.
What is the InChIKey of 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XTKJSLFPAZKDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5/c1-6(10(2,3)11)7-4-13-9-8(12)14-5-15-16(7)9/h4-6H,1-3H3,(H2,12,14,15).
What are the key properties of 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine?
7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 223.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-3-methylbutan-2-yl)imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 123643894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).