4-(4-phenylphenyl)-2H-triazole

C14H11N3 — CID 51346178

IUPAC4-(4-phenylphenyl)-2H-triazole
SMILESc1ccc(-c2ccc(-c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C14H11N3/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-10-15-17-16-14/h1-10H,(H,15,16,17)
InChIKeyBBCXXVORRXJINS-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.14
Rot. Bonds2

About 4-(4-phenylphenyl)-2H-triazole

4-(4-phenylphenyl)-2H-triazole (PubChem CID 51346178) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-phenylphenyl)-2H-triazole
PubChem CID51346178
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name4-(4-phenylphenyl)-2H-triazole
SMILESc1ccc(-c2ccc(-c3cn[nH]n3)cc2)cc1
InChIInChI=1S/C14H11N3/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-10-15-17-16-14/h1-10H,(H,15,16,17)
InChIKeyBBCXXVORRXJINS-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 4-(4-phenylphenyl)-2H-triazole?
The IUPAC name of 4-(4-phenylphenyl)-2H-triazole (CID 51346178) is 4-(4-phenylphenyl)-2H-triazole.
What is the SMILES notation for 4-(4-phenylphenyl)-2H-triazole?
The canonical SMILES for 4-(4-phenylphenyl)-2H-triazole is c1ccc(-c2ccc(-c3cn[nH]n3)cc2)cc1.
What is the InChIKey of 4-(4-phenylphenyl)-2H-triazole?
The InChIKey is BBCXXVORRXJINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)14-10-15-17-16-14/h1-10H,(H,15,16,17).
What are the key properties of 4-(4-phenylphenyl)-2H-triazole?
4-(4-phenylphenyl)-2H-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 4-(4-phenylphenyl)-2H-triazole is sourced from PubChem (CID 51346178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).