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

C14H9Cl2N3 — CID 11077118

IUPAC3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
SMILESClc1ccc(-c2nnc(Cl)n2-c2ccccc2)cc1
InChIInChI=1S/C14H9Cl2N3/c15-11-8-6-10(7-9-11)13-17-18-14(16)19(13)12-4-2-1-3-5-12/h1-9H
InChIKeyZPZIVTFVCZFPJV-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.24
Rot. Bonds2

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

3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole (PubChem CID 11077118) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
PubChem CID11077118
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
SMILESClc1ccc(-c2nnc(Cl)n2-c2ccccc2)cc1
InChIInChI=1S/C14H9Cl2N3/c15-11-8-6-10(7-9-11)13-17-18-14(16)19(13)12-4-2-1-3-5-12/h1-9H
InChIKeyZPZIVTFVCZFPJV-UHFFFAOYSA-N
XLogP4.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(4-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
CID 47003671
3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
CID 63384103
3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
CID 63384355
4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
CID 63385450
3-chloro-4-(5-chloro-2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 63384515
3-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 2047264
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718
3-(4-chlorophenyl)-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole
CID 7169015
3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-4-hydroxypent-3-en-2-one
CID 5215816
3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole
CID 63383941

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole (CID 11077118) is 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole is Clc1ccc(-c2nnc(Cl)n2-c2ccccc2)cc1.
What is the InChIKey of 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole?
The InChIKey is ZPZIVTFVCZFPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-11-8-6-10(7-9-11)13-17-18-14(16)19(13)12-4-2-1-3-5-12/h1-9H.
What are the key properties of 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole?
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole has a molecular weight of 290.15 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 11077118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).