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

C14H9ClFN3 — CID 63384103

IUPAC3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
SMILESFc1cccc(-n2c(Cl)nnc2-c2ccccc2)c1
InChIInChI=1S/C14H9ClFN3/c15-14-18-17-13(10-5-2-1-3-6-10)19(14)12-8-4-7-11(16)9-12/h1-9H
InChIKeyDKZUOFWDQIALNX-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.73
Rot. Bonds2

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

3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole (PubChem CID 63384103) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
PubChem CID63384103
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
SMILESFc1cccc(-n2c(Cl)nnc2-c2ccccc2)c1
InChIInChI=1S/C14H9ClFN3/c15-14-18-17-13(10-5-2-1-3-6-10)19(14)12-8-4-7-11(16)9-12/h1-9H
InChIKeyDKZUOFWDQIALNX-UHFFFAOYSA-N
XLogP3.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
CID 63385450
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
3-(3-fluorophenyl)-2-phenylpyrimidin-4-one
CID 13280766
3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole
CID 63383941
[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943885
3-chloro-4-(2-chloro-6-methylphenyl)-5-phenyl-1,2,4-triazole
CID 66253948
3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
CID 63384355
3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 63384515
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
3-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-4,5-diphenyl-1,2,4-triazole;3-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 91109900
9-[4-(3,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]carbazole
CID 70809924
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole (CID 63384103) is 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole is Fc1cccc(-n2c(Cl)nnc2-c2ccccc2)c1.
What is the InChIKey of 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole?
The InChIKey is DKZUOFWDQIALNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-14-18-17-13(10-5-2-1-3-6-10)19(14)12-8-4-7-11(16)9-12/h1-9H.
What are the key properties of 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole?
3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole has a molecular weight of 273.70 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 63384103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).