1,5-bis(4-chlorophenyl)triazole

C14H9Cl2N3 — CID 44572111

IUPAC1,5-bis(4-chlorophenyl)triazole
SMILESClc1ccc(-c2cnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H9Cl2N3/c15-11-3-1-10(2-4-11)14-9-17-18-19(14)13-7-5-12(16)6-8-13/h1-9H
InChIKeyRXDUBIUDBWNEMF-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.24
Rot. Bonds2

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

1,5-bis(4-chlorophenyl)triazole (PubChem CID 44572111) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)triazole.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)triazole
PubChem CID44572111
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name1,5-bis(4-chlorophenyl)triazole
SMILESClc1ccc(-c2cnnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H9Cl2N3/c15-11-3-1-10(2-4-11)14-9-17-18-19(14)13-7-5-12(16)6-8-13/h1-9H
InChIKeyRXDUBIUDBWNEMF-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)triazole?
The IUPAC name of 1,5-bis(4-chlorophenyl)triazole (CID 44572111) is 1,5-bis(4-chlorophenyl)triazole.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)triazole?
The canonical SMILES for 1,5-bis(4-chlorophenyl)triazole is Clc1ccc(-c2cnnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)triazole?
The InChIKey is RXDUBIUDBWNEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-11-3-1-10(2-4-11)14-9-17-18-19(14)13-7-5-12(16)6-8-13/h1-9H.
What are the key properties of 1,5-bis(4-chlorophenyl)triazole?
1,5-bis(4-chlorophenyl)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)triazole is sourced from PubChem (CID 44572111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).