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

C17H16FN3 — CID 58068634

IUPAC3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(-c2ccc(F)cc2)n1-c1ccccc1
InChIInChI=1S/C17H16FN3/c1-12(2)16-19-20-17(13-8-10-14(18)11-9-13)21(16)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyWUFUPUKJWMFCPY-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.20
Rot. Bonds3

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

3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 58068634) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole
PubChem CID58068634
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nnc(-c2ccc(F)cc2)n1-c1ccccc1
InChIInChI=1S/C17H16FN3/c1-12(2)16-19-20-17(13-8-10-14(18)11-9-13)21(16)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyWUFUPUKJWMFCPY-UHFFFAOYSA-N
XLogP4.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole (CID 58068634) is 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole is CC(C)c1nnc(-c2ccc(F)cc2)n1-c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is WUFUPUKJWMFCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-12(2)16-19-20-17(13-8-10-14(18)11-9-13)21(16)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole?
3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 281.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-phenyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 58068634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).