5-(2-phenylphenyl)-1H-1,2,4-triazole

C14H11N3 — CID 141114745

IUPAC5-(2-phenylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(-c2ccccc2-c2ncn[nH]2)cc1
InChIInChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-8-4-5-9-13(12)14-15-10-16-17-14/h1-10H,(H,15,16,17)
InChIKeyBJMREOMYOPGLAQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.14
Rot. Bonds2

About 5-(2-phenylphenyl)-1H-1,2,4-triazole

5-(2-phenylphenyl)-1H-1,2,4-triazole (PubChem CID 141114745) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 5-(2-phenylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-phenylphenyl)-1H-1,2,4-triazole
PubChem CID141114745
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name5-(2-phenylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(-c2ccccc2-c2ncn[nH]2)cc1
InChIInChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-8-4-5-9-13(12)14-15-10-16-17-14/h1-10H,(H,15,16,17)
InChIKeyBJMREOMYOPGLAQ-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 5-(2-phenylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-phenylphenyl)-1H-1,2,4-triazole (CID 141114745) is 5-(2-phenylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-phenylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-phenylphenyl)-1H-1,2,4-triazole is c1ccc(-c2ccccc2-c2ncn[nH]2)cc1.
What is the InChIKey of 5-(2-phenylphenyl)-1H-1,2,4-triazole?
The InChIKey is BJMREOMYOPGLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-8-4-5-9-13(12)14-15-10-16-17-14/h1-10H,(H,15,16,17).
What are the key properties of 5-(2-phenylphenyl)-1H-1,2,4-triazole?
5-(2-phenylphenyl)-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 5-(2-phenylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 141114745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).