1-(4-chlorophenyl)-5-phenyltriazole

C14H10ClN3 — CID 13024880

IUPAC1-(4-chlorophenyl)-5-phenyltriazole
SMILESClc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C14H10ClN3/c15-12-6-8-13(9-7-12)18-14(10-16-17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyBJOGZZADYLCKPX-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.59
Rot. Bonds2

About 1-(4-chlorophenyl)-5-phenyltriazole

1-(4-chlorophenyl)-5-phenyltriazole (PubChem CID 13024880) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-phenyltriazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-phenyltriazole
PubChem CID13024880
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name1-(4-chlorophenyl)-5-phenyltriazole
SMILESClc1ccc(-n2nncc2-c2ccccc2)cc1
InChIInChI=1S/C14H10ClN3/c15-12-6-8-13(9-7-12)18-14(10-16-17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyBJOGZZADYLCKPX-UHFFFAOYSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-phenyltriazole?
The IUPAC name of 1-(4-chlorophenyl)-5-phenyltriazole (CID 13024880) is 1-(4-chlorophenyl)-5-phenyltriazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-phenyltriazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-phenyltriazole is Clc1ccc(-n2nncc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-phenyltriazole?
The InChIKey is BJOGZZADYLCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-12-6-8-13(9-7-12)18-14(10-16-17-18)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-(4-chlorophenyl)-5-phenyltriazole?
1-(4-chlorophenyl)-5-phenyltriazole has a molecular weight of 255.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-phenyltriazole is sourced from PubChem (CID 13024880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).