5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole

C15H13N3 — CID 57398051

IUPAC5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole
SMILESCc1ccc(-c2ccccc2C2=NCN=N2)cc1
InChIInChI=1S/C15H13N3/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15-16-10-17-18-15/h2-9H,10H2,1H3
InChIKeyOKOIZTLRSHMQRN-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.83
Rot. Bonds2

About 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole

5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole (PubChem CID 57398051) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole
PubChem CID57398051
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole
SMILESCc1ccc(-c2ccccc2C2=NCN=N2)cc1
InChIInChI=1S/C15H13N3/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15-16-10-17-18-15/h2-9H,10H2,1H3
InChIKeyOKOIZTLRSHMQRN-UHFFFAOYSA-N
XLogP3.83
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole?
The IUPAC name of 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole (CID 57398051) is 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole.
What is the SMILES notation for 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole?
The canonical SMILES for 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole is Cc1ccc(-c2ccccc2C2=NCN=N2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole?
The InChIKey is OKOIZTLRSHMQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15-16-10-17-18-15/h2-9H,10H2,1H3.
What are the key properties of 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole?
5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole has a molecular weight of 235.29 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole is sourced from PubChem (CID 57398051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).