1-(2-methylphenyl)-4-phenyltriazole

C15H13N3 — CID 20977907

IUPAC1-(2-methylphenyl)-4-phenyltriazole
SMILESCc1ccccc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H13N3/c1-12-7-5-6-10-15(12)18-11-14(16-17-18)13-8-3-2-4-9-13/h2-11H,1H3
InChIKeyDDMCEGSOTOSBAN-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.24
Rot. Bonds2

About 1-(2-methylphenyl)-4-phenyltriazole

1-(2-methylphenyl)-4-phenyltriazole (PubChem CID 20977907) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-phenyltriazole
PubChem CID20977907
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-(2-methylphenyl)-4-phenyltriazole
SMILESCc1ccccc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H13N3/c1-12-7-5-6-10-15(12)18-11-14(16-17-18)13-8-3-2-4-9-13/h2-11H,1H3
InChIKeyDDMCEGSOTOSBAN-UHFFFAOYSA-N
XLogP3.24
TPSA30.71 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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-phenyltriazole?
The IUPAC name of 1-(2-methylphenyl)-4-phenyltriazole (CID 20977907) is 1-(2-methylphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-(2-methylphenyl)-4-phenyltriazole?
The canonical SMILES for 1-(2-methylphenyl)-4-phenyltriazole is Cc1ccccc1-n1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-(2-methylphenyl)-4-phenyltriazole?
The InChIKey is DDMCEGSOTOSBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-12-7-5-6-10-15(12)18-11-14(16-17-18)13-8-3-2-4-9-13/h2-11H,1H3.
What are the key properties of 1-(2-methylphenyl)-4-phenyltriazole?
1-(2-methylphenyl)-4-phenyltriazole has a molecular weight of 235.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-phenyltriazole is sourced from PubChem (CID 20977907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).