4-[2-(4-methylphenyl)phenyl]-2H-triazole

C15H13N3 — CID 23365460

IUPAC4-[2-(4-methylphenyl)phenyl]-2H-triazole
SMILESCc1ccc(-c2ccccc2-c2cn[nH]n2)cc1
InChIInChI=1S/C15H13N3/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15-10-16-18-17-15/h2-10H,1H3,(H,16,17,18)
InChIKeyACKDPCGYJPVFKO-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.45
Rot. Bonds2

About 4-[2-(4-methylphenyl)phenyl]-2H-triazole

4-[2-(4-methylphenyl)phenyl]-2H-triazole (PubChem CID 23365460) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)phenyl]-2H-triazole.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)phenyl]-2H-triazole
PubChem CID23365460
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-[2-(4-methylphenyl)phenyl]-2H-triazole
SMILESCc1ccc(-c2ccccc2-c2cn[nH]n2)cc1
InChIInChI=1S/C15H13N3/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15-10-16-18-17-15/h2-10H,1H3,(H,16,17,18)
InChIKeyACKDPCGYJPVFKO-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)phenyl]-2H-triazole?
The IUPAC name of 4-[2-(4-methylphenyl)phenyl]-2H-triazole (CID 23365460) is 4-[2-(4-methylphenyl)phenyl]-2H-triazole.
What is the SMILES notation for 4-[2-(4-methylphenyl)phenyl]-2H-triazole?
The canonical SMILES for 4-[2-(4-methylphenyl)phenyl]-2H-triazole is Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)phenyl]-2H-triazole?
The InChIKey is ACKDPCGYJPVFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15-10-16-18-17-15/h2-10H,1H3,(H,16,17,18).
What are the key properties of 4-[2-(4-methylphenyl)phenyl]-2H-triazole?
4-[2-(4-methylphenyl)phenyl]-2H-triazole has a molecular weight of 235.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)phenyl]-2H-triazole is sourced from PubChem (CID 23365460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).