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

C16H14ClN3 — CID 10125429

IUPAC5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole
SMILESCCc1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H14ClN3/c1-2-15-18-16(12-8-10-13(17)11-9-12)20(19-15)14-6-4-3-5-7-14/h3-11H,2H2,1H3
InChIKeyVRRCRDQBKHDAAN-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.15
Rot. Bonds3

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

5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole (PubChem CID 10125429) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole
PubChem CID10125429
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole
SMILESCCc1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H14ClN3/c1-2-15-18-16(12-8-10-13(17)11-9-12)20(19-15)14-6-4-3-5-7-14/h3-11H,2H2,1H3
InChIKeyVRRCRDQBKHDAAN-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole?
The IUPAC name of 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole (CID 10125429) is 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole is CCc1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole?
The InChIKey is VRRCRDQBKHDAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-2-15-18-16(12-8-10-13(17)11-9-12)20(19-15)14-6-4-3-5-7-14/h3-11H,2H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole?
5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole has a molecular weight of 283.76 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-ethyl-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 10125429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).