2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline

C11H8FN5 — CID 54924540

IUPAC2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
SMILESNc1cc(-c2nnc3cnccn23)ccc1F
InChIInChI=1S/C11H8FN5/c12-8-2-1-7(5-9(8)13)11-16-15-10-6-14-3-4-17(10)11/h1-6H,13H2
InChIKeyKJAILFWYAMQIKH-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.51
Rot. Bonds1

About 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline

2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline (PubChem CID 54924540) has the molecular formula C11H8FN5 and a molecular weight of 229.22 g/mol. Its IUPAC name is 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
PubChem CID54924540
Molecular FormulaC11H8FN5
Molecular Weight229.22 g/mol
Exact Mass229.08
IUPAC Name2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
SMILESNc1cc(-c2nnc3cnccn23)ccc1F
InChIInChI=1S/C11H8FN5/c12-8-2-1-7(5-9(8)13)11-16-15-10-6-14-3-4-17(10)11/h1-6H,13H2
InChIKeyKJAILFWYAMQIKH-UHFFFAOYSA-N
XLogP1.51
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The IUPAC name of 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline (CID 54924540) is 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline.
What is the SMILES notation for 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The canonical SMILES for 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline is Nc1cc(-c2nnc3cnccn23)ccc1F.
What is the InChIKey of 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
The InChIKey is KJAILFWYAMQIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5/c12-8-2-1-7(5-9(8)13)11-16-15-10-6-14-3-4-17(10)11/h1-6H,13H2.
What are the key properties of 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline?
2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline has a molecular weight of 229.22 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline is sourced from PubChem (CID 54924540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).