4-fluoro-2-(triazol-1-yl)aniline

C8H7FN4 — CID 84656326

IUPAC4-fluoro-2-(triazol-1-yl)aniline
SMILESNc1ccc(F)cc1-n1ccnn1
InChIInChI=1S/C8H7FN4/c9-6-1-2-7(10)8(5-6)13-4-3-11-12-13/h1-5H,10H2
InChIKeyRQKTZXKZMQESKH-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.99
Rot. Bonds1

About 4-fluoro-2-(triazol-1-yl)aniline

4-fluoro-2-(triazol-1-yl)aniline (PubChem CID 84656326) has the molecular formula C8H7FN4 and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-fluoro-2-(triazol-1-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(triazol-1-yl)aniline
PubChem CID84656326
Molecular FormulaC8H7FN4
Molecular Weight178.17 g/mol
Exact Mass178.07
IUPAC Name4-fluoro-2-(triazol-1-yl)aniline
SMILESNc1ccc(F)cc1-n1ccnn1
InChIInChI=1S/C8H7FN4/c9-6-1-2-7(10)8(5-6)13-4-3-11-12-13/h1-5H,10H2
InChIKeyRQKTZXKZMQESKH-UHFFFAOYSA-N
XLogP0.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(triazol-1-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

1-(2,5-difluorophenyl)triazole
CID 169324324
5-fluoro-2-(triazol-1-yl)benzonitrile
CID 84661287
3-(triazol-1-yl)pyridin-4-amine
CID 84651204
4-fluoro-2-(triazol-1-yl)pyridine
CID 142795340
4-fluoro-2-(5-methyltriazol-1-yl)aniline
CID 20577188
2-methyl-4-(triazol-1-yl)aniline
CID 82512131
3-(triazol-1-yl)pyridin-2-amine
CID 84651207
5-fluoro-2-iodo-3-(triazol-1-yl)benzoyl chloride
CID 155046785
2-(benzotriazol-1-yl)-4-fluoroaniline
CID 62376112
3-(triazol-1-yl)aniline
CID 59199898
5-[2-(triazol-1-yl)phenyl]-1H-pyrazol-3-amine
CID 117325182
3-nitro-4-(triazol-1-yl)aniline
CID 121330411

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(triazol-1-yl)aniline?
The IUPAC name of 4-fluoro-2-(triazol-1-yl)aniline (CID 84656326) is 4-fluoro-2-(triazol-1-yl)aniline.
What is the SMILES notation for 4-fluoro-2-(triazol-1-yl)aniline?
The canonical SMILES for 4-fluoro-2-(triazol-1-yl)aniline is Nc1ccc(F)cc1-n1ccnn1.
What is the InChIKey of 4-fluoro-2-(triazol-1-yl)aniline?
The InChIKey is RQKTZXKZMQESKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4/c9-6-1-2-7(10)8(5-6)13-4-3-11-12-13/h1-5H,10H2.
What are the key properties of 4-fluoro-2-(triazol-1-yl)aniline?
4-fluoro-2-(triazol-1-yl)aniline has a molecular weight of 178.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(triazol-1-yl)aniline is sourced from PubChem (CID 84656326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).