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

C14H11N3 — CID 16260

IUPAC3,5-diphenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
InChIKeyKPKQWXGFEKRQQA-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.14
Rot. Bonds2

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

3,5-diphenyl-1H-1,2,4-triazole (PubChem CID 16260) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,5-diphenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-diphenyl-1H-1,2,4-triazole
PubChem CID16260
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3,5-diphenyl-1H-1,2,4-triazole
SMILESc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)
InChIKeyKPKQWXGFEKRQQA-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1H-1,2,4-triazole?
The IUPAC name of 3,5-diphenyl-1H-1,2,4-triazole (CID 16260) is 3,5-diphenyl-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-diphenyl-1H-1,2,4-triazole?
The canonical SMILES for 3,5-diphenyl-1H-1,2,4-triazole is c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,5-diphenyl-1H-1,2,4-triazole?
The InChIKey is KPKQWXGFEKRQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17).
What are the key properties of 3,5-diphenyl-1H-1,2,4-triazole?
3,5-diphenyl-1H-1,2,4-triazole has a molecular weight of 221.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1H-1,2,4-triazole is sourced from PubChem (CID 16260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).