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

C16H14ClN3 — CID 155539638

IUPAC3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole
SMILESCCn1nc(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H14ClN3/c1-2-20-16(13-6-4-3-5-7-13)18-15(19-20)12-8-10-14(17)11-9-12/h3-11H,2H2,1H3
InChIKeyUNNVZGQHAIQLHF-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.29
Rot. Bonds3

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

3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole (PubChem CID 155539638) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole
PubChem CID155539638
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole
SMILESCCn1nc(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H14ClN3/c1-2-20-16(13-6-4-3-5-7-13)18-15(19-20)12-8-10-14(17)11-9-12/h3-11H,2H2,1H3
InChIKeyUNNVZGQHAIQLHF-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole?
The IUPAC name of 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole (CID 155539638) is 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole is CCn1nc(-c2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole?
The InChIKey is UNNVZGQHAIQLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-2-20-16(13-6-4-3-5-7-13)18-15(19-20)12-8-10-14(17)11-9-12/h3-11H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole?
3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole has a molecular weight of 283.76 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-ethyl-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 155539638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).