5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine

C11H13FN4 — CID 79502083

IUPAC5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine
SMILESCCc1c(N)nnn1-c1ccc(C)c(F)c1
InChIInChI=1S/C11H13FN4/c1-3-10-11(13)14-15-16(10)8-5-4-7(2)9(12)6-8/h4-6H,3,13H2,1-2H3
InChIKeyLWPBZBSSEANXLW-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.86
Rot. Bonds2

About 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine

5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine (PubChem CID 79502083) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine
PubChem CID79502083
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine
SMILESCCc1c(N)nnn1-c1ccc(C)c(F)c1
InChIInChI=1S/C11H13FN4/c1-3-10-11(13)14-15-16(10)8-5-4-7(2)9(12)6-8/h4-6H,3,13H2,1-2H3
InChIKeyLWPBZBSSEANXLW-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine?
The IUPAC name of 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine (CID 79502083) is 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine?
The canonical SMILES for 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine is CCc1c(N)nnn1-c1ccc(C)c(F)c1.
What is the InChIKey of 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine?
The InChIKey is LWPBZBSSEANXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-3-10-11(13)14-15-16(10)8-5-4-7(2)9(12)6-8/h4-6H,3,13H2,1-2H3.
What are the key properties of 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine?
5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine has a molecular weight of 220.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-fluoro-4-methylphenyl)triazol-4-amine is sourced from PubChem (CID 79502083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).