4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole

C18H12FN3S — CID 866129

IUPAC4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole
SMILESFc1ccc(-n2c(-c3ccccc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C18H12FN3S/c19-14-8-10-15(11-9-14)22-17(13-5-2-1-3-6-13)20-21-18(22)16-7-4-12-23-16/h1-12H
InChIKeyYBUBYRPWJGFEBR-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.80
Rot. Bonds3

About 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole

4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole (PubChem CID 866129) has the molecular formula C18H12FN3S and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole
PubChem CID866129
Molecular FormulaC18H12FN3S
Molecular Weight321.38 g/mol
Exact Mass321.07
IUPAC Name4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole
SMILESFc1ccc(-n2c(-c3ccccc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C18H12FN3S/c19-14-8-10-15(11-9-14)22-17(13-5-2-1-3-6-13)20-21-18(22)16-7-4-12-23-16/h1-12H
InChIKeyYBUBYRPWJGFEBR-UHFFFAOYSA-N
XLogP4.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole (CID 866129) is 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole is Fc1ccc(-n2c(-c3ccccc3)nnc2-c2cccs2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole?
The InChIKey is YBUBYRPWJGFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3S/c19-14-8-10-15(11-9-14)22-17(13-5-2-1-3-6-13)20-21-18(22)16-7-4-12-23-16/h1-12H.
What are the key properties of 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole?
4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole has a molecular weight of 321.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-phenyl-5-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 866129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).