4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole

C20H14FN3 — CID 50993743

IUPAC4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole
SMILESFc1ccccc1-n1cnnc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14FN3/c21-18-8-4-5-9-19(18)24-14-22-23-20(24)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
InChIKeyFVSVKWVILIBWOO-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.74
Rot. Bonds3

About 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole

4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole (PubChem CID 50993743) has the molecular formula C20H14FN3 and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole
PubChem CID50993743
Molecular FormulaC20H14FN3
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole
SMILESFc1ccccc1-n1cnnc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14FN3/c21-18-8-4-5-9-19(18)24-14-22-23-20(24)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
InChIKeyFVSVKWVILIBWOO-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole
CID 22019234
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
3-Biphenyl-4-yl-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 4391207
3-biphenyl-4-yl-4-(2-fluorophenyl)-5-methylsulfanyl-4H-1,2,4-triazole
CID 22019235
1-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpiperazine
CID 154929866
1H-1,2,4-Triazole, 1,3,5-triphenyl-
CID 563249
3,4-Diphenyl-4H-1,2,4-triazole
CID 5199040
3-Biphenyl-4-yl-5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazole
CID 4423823
3-Biphenyl-4-yl-5-ethyl-4-(2-fluorophenyl)-1,2,4-triazole
CID 50993656
2-(3-Biphenyl-4-yl-5-methyl-4H-1,2,4-triazole-4-yl)benzonitrile
CID 50994603
5-Biphenyl-4-yl-4-(2-fluorophenyl)-N-methyl-4H-1,2,4-triazol-3-amine
CID 50994605

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole (CID 50993743) is 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole is Fc1ccccc1-n1cnnc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole?
The InChIKey is FVSVKWVILIBWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3/c21-18-8-4-5-9-19(18)24-14-22-23-20(24)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H.
What are the key properties of 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole?
4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole has a molecular weight of 315.35 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-(4-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 50993743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).