4-fluoro-2-(5-methyltriazol-1-yl)aniline

C9H9FN4 — CID 20577188

IUPAC4-fluoro-2-(5-methyltriazol-1-yl)aniline
SMILESCc1cnnn1-c1cc(F)ccc1N
InChIInChI=1S/C9H9FN4/c1-6-5-12-13-14(6)9-4-7(10)2-3-8(9)11/h2-5H,11H2,1H3
InChIKeyJDKQZVWUKFPRHY-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.30
Rot. Bonds1

About 4-fluoro-2-(5-methyltriazol-1-yl)aniline

4-fluoro-2-(5-methyltriazol-1-yl)aniline (PubChem CID 20577188) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 4-fluoro-2-(5-methyltriazol-1-yl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(5-methyltriazol-1-yl)aniline
PubChem CID20577188
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name4-fluoro-2-(5-methyltriazol-1-yl)aniline
SMILESCc1cnnn1-c1cc(F)ccc1N
InChIInChI=1S/C9H9FN4/c1-6-5-12-13-14(6)9-4-7(10)2-3-8(9)11/h2-5H,11H2,1H3
InChIKeyJDKQZVWUKFPRHY-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine
CID 21069905
4-fluoro-2-(triazol-1-yl)aniline
CID 84656326
2-(benzotriazol-1-yl)-4-fluoroaniline
CID 62376112
5-(chloromethyl)-1-(5-fluoro-2-methylphenyl)triazole
CID 107450868
2-(5-methyltriazol-1-yl)benzenediazonium
CID 10704234
2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
CID 62377784
4-fluoro-2-(4-methylsulfonylpiperazin-1-yl)aniline
CID 62992588
1-(2-chloro-5-fluorophenyl)-5-methyltriazol-4-amine
CID 107531705
1-(2,4-difluorophenyl)-5-methylpyrazol-3-amine
CID 42692484
4-bromo-2-(3,5-dimethylpyrazol-1-yl)aniline
CID 12746688
2-[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61354257
5-[1-(2-chloro-5-fluorophenyl)tetrazol-5-yl]-2-methylaniline
CID 107531057

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-methyltriazol-1-yl)aniline?
The IUPAC name of 4-fluoro-2-(5-methyltriazol-1-yl)aniline (CID 20577188) is 4-fluoro-2-(5-methyltriazol-1-yl)aniline.
What is the SMILES notation for 4-fluoro-2-(5-methyltriazol-1-yl)aniline?
The canonical SMILES for 4-fluoro-2-(5-methyltriazol-1-yl)aniline is Cc1cnnn1-c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(5-methyltriazol-1-yl)aniline?
The InChIKey is JDKQZVWUKFPRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-6-5-12-13-14(6)9-4-7(10)2-3-8(9)11/h2-5H,11H2,1H3.
What are the key properties of 4-fluoro-2-(5-methyltriazol-1-yl)aniline?
4-fluoro-2-(5-methyltriazol-1-yl)aniline has a molecular weight of 192.20 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-methyltriazol-1-yl)aniline is sourced from PubChem (CID 20577188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).