1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole

C16H13Cl2N3 — CID 14531287

IUPAC1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole
SMILESCCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13Cl2N3/c1-2-15-19-16(11-3-5-12(17)6-4-11)21(20-15)14-9-7-13(18)8-10-14/h3-10H,2H2,1H3
InChIKeyIVZPZKOGZSZGOD-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.80
Rot. Bonds3

About 1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole

1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole (PubChem CID 14531287) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole
PubChem CID14531287
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole
SMILESCCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H13Cl2N3/c1-2-15-19-16(11-3-5-12(17)6-4-11)21(20-15)14-9-7-13(18)8-10-14/h3-10H,2H2,1H3
InChIKeyIVZPZKOGZSZGOD-UHFFFAOYSA-N
XLogP4.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.80
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)-3-ethyl-1,2,4-triazole?
The IUPAC name of 1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole (CID 14531287) is 1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole is CCc1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole?
The InChIKey is IVZPZKOGZSZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-2-15-19-16(11-3-5-12(17)6-4-11)21(20-15)14-9-7-13(18)8-10-14/h3-10H,2H2,1H3.
What are the key properties of 1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole?
1,5-bis(4-chlorophenyl)-3-ethyl-1,2,4-triazole has a molecular weight of 318.21 g/mol, XLogP of 4.80, 3 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)-3-ethyl-1,2,4-triazole is sourced from PubChem (CID 14531287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).