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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479051
2-chloro-5-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 43479089
3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 67251777
2-[4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)phenyl]ethanamine
CID 43665678
2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 62043241
5-methoxy-2-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)aniline
CID 113305042
2-fluoro-5-pyrimidin-5-ylaniline
CID 165490081
2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 54924253
2-bromo-5-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 107813659
2,4-difluoro-5-([1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 79816625
1-phenyl-4-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazol-5-amine
CID 43479093
5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491

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).