5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole

C11H12FN3 — CID 123403679

IUPAC5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1CCc1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-15-11(13-8-14-15)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyPXHOAJFNSFHUOI-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.74
Rot. Bonds3

About 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole

5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole (PubChem CID 123403679) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole
PubChem CID123403679
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole
SMILESCn1ncnc1CCc1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-15-11(13-8-14-15)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyPXHOAJFNSFHUOI-UHFFFAOYSA-N
XLogP1.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-phenylpentyl]-1,2,4-triazole
CID 25170487
1-[(3R)-3-phenylheptyl]-1,2,4-triazole
CID 25170670
1-[(3R)-3-(4-fluorophenyl)heptyl]-1,2,4-triazole
CID 25170867
3-benzyl-4H-1,2,4-triazole
CID 594447
1-[(3R)-3-(4-fluorophenyl)pentyl]-1,2,4-triazole
CID 25170662
1-[(3S)-3-(4-fluorophenyl)pentyl]-1,2,4-triazole
CID 25170663
1-[(3R)-3-phenylhexyl]-1,2,4-triazole
CID 25170667
1-[(3R)-3-(4-fluorophenyl)hexyl]-1,2,4-triazole
CID 25170668
1-[(3S)-3-(4-fluorophenyl)heptyl]-1,2,4-triazole
CID 25170868
1-[(3S)-3-phenylhexyl]-1,2,4-triazole
CID 25170873
1-[(3S)-3-phenylpentyl]-1,2,4-triazole
CID 25170871
1-[(3R)-3-methyl-4-phenylbutyl]-1,2,4-triazole
CID 145957244

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole (CID 123403679) is 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole is Cn1ncnc1CCc1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole?
The InChIKey is PXHOAJFNSFHUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-11(13-8-14-15)7-4-9-2-5-10(12)6-3-9/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole?
5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole has a molecular weight of 205.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)ethyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 123403679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).