1-(3-methylphenyl)-4-phenyltriazole

C15H13N3 — CID 122205254

IUPAC1-(3-methylphenyl)-4-phenyltriazole
SMILESCc1cccc(-n2cc(-c3ccccc3)nn2)c1
InChIInChI=1S/C15H13N3/c1-12-6-5-9-14(10-12)18-11-15(16-17-18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeySSCQVPPLJQVTQL-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.24
Rot. Bonds2

About 1-(3-methylphenyl)-4-phenyltriazole

1-(3-methylphenyl)-4-phenyltriazole (PubChem CID 122205254) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-phenyltriazole
PubChem CID122205254
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-(3-methylphenyl)-4-phenyltriazole
SMILESCc1cccc(-n2cc(-c3ccccc3)nn2)c1
InChIInChI=1S/C15H13N3/c1-12-6-5-9-14(10-12)18-11-15(16-17-18)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeySSCQVPPLJQVTQL-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-(3-methylphenyl)-4-phenyltriazole?
The IUPAC name of 1-(3-methylphenyl)-4-phenyltriazole (CID 122205254) is 1-(3-methylphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-(3-methylphenyl)-4-phenyltriazole?
The canonical SMILES for 1-(3-methylphenyl)-4-phenyltriazole is Cc1cccc(-n2cc(-c3ccccc3)nn2)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-phenyltriazole?
The InChIKey is SSCQVPPLJQVTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-12-6-5-9-14(10-12)18-11-15(16-17-18)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 1-(3-methylphenyl)-4-phenyltriazole?
1-(3-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-(3-methylphenyl)-4-phenyltriazole is sourced from PubChem (CID 122205254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).