4-ethyl-3,5-diphenyl-1,2,4-triazole

C16H15N3 — CID 3707514

IUPAC4-ethyl-3,5-diphenyl-1,2,4-triazole
SMILESCCn1c(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C16H15N3/c1-2-19-15(13-9-5-3-6-10-13)17-18-16(19)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyMAGLLXUHNWKKOI-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.63
Rot. Bonds3

About 4-ethyl-3,5-diphenyl-1,2,4-triazole

4-ethyl-3,5-diphenyl-1,2,4-triazole (PubChem CID 3707514) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-ethyl-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-ethyl-3,5-diphenyl-1,2,4-triazole
PubChem CID3707514
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name4-ethyl-3,5-diphenyl-1,2,4-triazole
SMILESCCn1c(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C16H15N3/c1-2-19-15(13-9-5-3-6-10-13)17-18-16(19)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyMAGLLXUHNWKKOI-UHFFFAOYSA-N
XLogP3.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 4-ethyl-3,5-diphenyl-1,2,4-triazole (CID 3707514) is 4-ethyl-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 4-ethyl-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 4-ethyl-3,5-diphenyl-1,2,4-triazole is CCn1c(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 4-ethyl-3,5-diphenyl-1,2,4-triazole?
The InChIKey is MAGLLXUHNWKKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-19-15(13-9-5-3-6-10-13)17-18-16(19)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of 4-ethyl-3,5-diphenyl-1,2,4-triazole?
4-ethyl-3,5-diphenyl-1,2,4-triazole has a molecular weight of 249.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 3707514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).