4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole

C22H18ClN3Se — CID 24764379

IUPAC4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole
SMILESClc1ccc(-n2c(CC[Se]c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H18ClN3Se/c23-18-11-13-19(14-12-18)26-21(15-16-27-20-9-5-2-6-10-20)24-25-22(26)17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyZOJMVBOSBMFSEJ-UHFFFAOYSA-N
MW438.82 g/mol
LogP4.58
Rot. Bonds6

About 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole

4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole (PubChem CID 24764379) has the molecular formula C22H18ClN3Se and a molecular weight of 438.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole
PubChem CID24764379
Molecular FormulaC22H18ClN3Se
Molecular Weight438.82 g/mol
Exact Mass439.04
IUPAC Name4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole
SMILESClc1ccc(-n2c(CC[Se]c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C22H18ClN3Se/c23-18-11-13-19(14-12-18)26-21(15-16-27-20-9-5-2-6-10-20)24-25-22(26)17-7-3-1-4-8-17/h1-14H,15-16H2
InChIKeyZOJMVBOSBMFSEJ-UHFFFAOYSA-N
XLogP4.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.82
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 83968302
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395824
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
4-(4-chlorophenyl)-3-[(2-fluorophenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 126111948
2-(4-chlorophenyl)-4,5-diphenyl-1,2,4-triazole-3-thione
CID 10761239
3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
CID 63384355
3-(4-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
CID 47003671
4-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazole
CID 70332319
2-phenyl-5-[4-[3-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,2,4-triazol-4-yl]phenyl]-1,3,4-oxadiazole
CID 58692859
3-(4-chlorophenyl)-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole
CID 7169015
3-(bromomethyl)-5-(3,4-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115398710
2-[5-(chloromethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83968346

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole?
The IUPAC name of 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole (CID 24764379) is 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole?
The canonical SMILES for 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole is Clc1ccc(-n2c(CC[Se]c3ccccc3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole?
The InChIKey is ZOJMVBOSBMFSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3Se/c23-18-11-13-19(14-12-18)26-21(15-16-27-20-9-5-2-6-10-20)24-25-22(26)17-7-3-1-4-8-17/h1-14H,15-16H2.
What are the key properties of 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole?
4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole has a molecular weight of 438.82 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-phenyl-5-(2-phenylselanylethyl)-1,2,4-triazole is sourced from PubChem (CID 24764379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).