phenyl-[2-(triazol-2-yl)phenyl]methanone

C15H11N3O — CID 15712161

IUPACphenyl-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1-n1nccn1
InChIInChI=1S/C15H11N3O/c19-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-16-10-11-17-18/h1-11H
InChIKeyQYZNTRKZIIOPMY-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.50
Rot. Bonds3

About phenyl-[2-(triazol-2-yl)phenyl]methanone

phenyl-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 15712161) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is phenyl-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(triazol-2-yl)phenyl]methanone
PubChem CID15712161
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Namephenyl-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1)c1ccccc1-n1nccn1
InChIInChI=1S/C15H11N3O/c19-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-16-10-11-17-18/h1-11H
InChIKeyQYZNTRKZIIOPMY-UHFFFAOYSA-N
XLogP2.50
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of phenyl-[2-(triazol-2-yl)phenyl]methanone (CID 15712161) is phenyl-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for phenyl-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for phenyl-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1)c1ccccc1-n1nccn1.
What is the InChIKey of phenyl-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is QYZNTRKZIIOPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c19-15(12-6-2-1-3-7-12)13-8-4-5-9-14(13)18-16-10-11-17-18/h1-11H.
What are the key properties of phenyl-[2-(triazol-2-yl)phenyl]methanone?
phenyl-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 249.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 15712161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).