4-(2-phenylphenyl)-1,2,4-triazole

C14H11N3 — CID 50959238

IUPAC4-(2-phenylphenyl)-1,2,4-triazole
SMILESc1ccc(-c2ccccc2-n2cnnc2)cc1
InChIInChI=1S/C14H11N3/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)17-10-15-16-11-17/h1-11H
InChIKeyXAWXZBMZBYYBLO-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.93
Rot. Bonds2

About 4-(2-phenylphenyl)-1,2,4-triazole

4-(2-phenylphenyl)-1,2,4-triazole (PubChem CID 50959238) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(2-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-phenylphenyl)-1,2,4-triazole
PubChem CID50959238
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name4-(2-phenylphenyl)-1,2,4-triazole
SMILESc1ccc(-c2ccccc2-n2cnnc2)cc1
InChIInChI=1S/C14H11N3/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)17-10-15-16-11-17/h1-11H
InChIKeyXAWXZBMZBYYBLO-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(2-phenylphenyl)-1,2,4-triazole (CID 50959238) is 4-(2-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-phenylphenyl)-1,2,4-triazole is c1ccc(-c2ccccc2-n2cnnc2)cc1.
What is the InChIKey of 4-(2-phenylphenyl)-1,2,4-triazole?
The InChIKey is XAWXZBMZBYYBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)17-10-15-16-11-17/h1-11H.
What are the key properties of 4-(2-phenylphenyl)-1,2,4-triazole?
4-(2-phenylphenyl)-1,2,4-triazole has a molecular weight of 221.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 50959238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).