1,5-bis(4-chlorophenyl)-1,2,4-triazole

C14H9Cl2N3 — CID 4061955

IUPAC1,5-bis(4-chlorophenyl)-1,2,4-triazole
SMILESClc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H9Cl2N3/c15-11-3-1-10(2-4-11)14-17-9-18-19(14)13-7-5-12(16)6-8-13/h1-9H
InChIKeyILEAEPRNVNWKFT-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.24
Rot. Bonds2

About 1,5-bis(4-chlorophenyl)-1,2,4-triazole

1,5-bis(4-chlorophenyl)-1,2,4-triazole (PubChem CID 4061955) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-1,2,4-triazole
PubChem CID4061955
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name1,5-bis(4-chlorophenyl)-1,2,4-triazole
SMILESClc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H9Cl2N3/c15-11-3-1-10(2-4-11)14-17-9-18-19(14)13-7-5-12(16)6-8-13/h1-9H
InChIKeyILEAEPRNVNWKFT-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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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-1,2,4-triazole?
The IUPAC name of 1,5-bis(4-chlorophenyl)-1,2,4-triazole (CID 4061955) is 1,5-bis(4-chlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-1,2,4-triazole?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-1,2,4-triazole is Clc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-1,2,4-triazole?
The InChIKey is ILEAEPRNVNWKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-11-3-1-10(2-4-11)14-17-9-18-19(14)13-7-5-12(16)6-8-13/h1-9H.
What are the key properties of 1,5-bis(4-chlorophenyl)-1,2,4-triazole?
1,5-bis(4-chlorophenyl)-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 1,5-bis(4-chlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 4061955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).