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

C14H9Cl2N3 — CID 14248852

IUPAC4,5-bis(4-chlorophenyl)-2H-triazole
SMILESClc1ccc(-c2n[nH]nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H9Cl2N3/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18,19)
InChIKeyZNSBTZNMRJOVTP-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.45
Rot. Bonds2

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

4,5-bis(4-chlorophenyl)-2H-triazole (PubChem CID 14248852) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2H-triazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2H-triazole
PubChem CID14248852
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name4,5-bis(4-chlorophenyl)-2H-triazole
SMILESClc1ccc(-c2n[nH]nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H9Cl2N3/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18,19)
InChIKeyZNSBTZNMRJOVTP-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2H-triazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2H-triazole (CID 14248852) is 4,5-bis(4-chlorophenyl)-2H-triazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2H-triazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2H-triazole is Clc1ccc(-c2n[nH]nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2H-triazole?
The InChIKey is ZNSBTZNMRJOVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-11-5-1-9(2-6-11)13-14(18-19-17-13)10-3-7-12(16)8-4-10/h1-8H,(H,17,18,19).
What are the key properties of 4,5-bis(4-chlorophenyl)-2H-triazole?
4,5-bis(4-chlorophenyl)-2H-triazole has a molecular weight of 290.15 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2H-triazole is sourced from PubChem (CID 14248852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).