5-chloro-1,4-diphenyltriazole

C14H10ClN3 — CID 849380

IUPAC5-chloro-1,4-diphenyltriazole
SMILESClc1c(-c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C14H10ClN3/c15-14-13(11-7-3-1-4-8-11)16-17-18(14)12-9-5-2-6-10-12/h1-10H
InChIKeyJROKPQGOVFIVIM-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.59
Rot. Bonds2

About 5-chloro-1,4-diphenyltriazole

5-chloro-1,4-diphenyltriazole (PubChem CID 849380) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 5-chloro-1,4-diphenyltriazole.

Molecular Properties

Compound Name5-chloro-1,4-diphenyltriazole
PubChem CID849380
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name5-chloro-1,4-diphenyltriazole
SMILESClc1c(-c2ccccc2)nnn1-c1ccccc1
InChIInChI=1S/C14H10ClN3/c15-14-13(11-7-3-1-4-8-11)16-17-18(14)12-9-5-2-6-10-12/h1-10H
InChIKeyJROKPQGOVFIVIM-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 5-chloro-1,4-diphenyltriazole?
The IUPAC name of 5-chloro-1,4-diphenyltriazole (CID 849380) is 5-chloro-1,4-diphenyltriazole.
What is the SMILES notation for 5-chloro-1,4-diphenyltriazole?
The canonical SMILES for 5-chloro-1,4-diphenyltriazole is Clc1c(-c2ccccc2)nnn1-c1ccccc1.
What is the InChIKey of 5-chloro-1,4-diphenyltriazole?
The InChIKey is JROKPQGOVFIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-14-13(11-7-3-1-4-8-11)16-17-18(14)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 5-chloro-1,4-diphenyltriazole?
5-chloro-1,4-diphenyltriazole 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 5-chloro-1,4-diphenyltriazole is sourced from PubChem (CID 849380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).