1-[2-(triazol-2-yl)phenyl]propan-1-one

C11H11N3O — CID 70794389

IUPAC1-[2-(triazol-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C11H11N3O/c1-2-11(15)9-5-3-4-6-10(9)14-12-7-8-13-14/h3-8H,2H2,1H3
InChIKeyQCTUCXGKLJHTLO-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(triazol-2-yl)phenyl]propan-1-one

1-[2-(triazol-2-yl)phenyl]propan-1-one (PubChem CID 70794389) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[2-(triazol-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-(triazol-2-yl)phenyl]propan-1-one
PubChem CID70794389
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-[2-(triazol-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C11H11N3O/c1-2-11(15)9-5-3-4-6-10(9)14-12-7-8-13-14/h3-8H,2H2,1H3
InChIKeyQCTUCXGKLJHTLO-UHFFFAOYSA-N
XLogP1.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(triazol-2-yl)phenyl]propan-1-one?
The IUPAC name of 1-[2-(triazol-2-yl)phenyl]propan-1-one (CID 70794389) is 1-[2-(triazol-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[2-(triazol-2-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[2-(triazol-2-yl)phenyl]propan-1-one is CCC(=O)c1ccccc1-n1nccn1.
What is the InChIKey of 1-[2-(triazol-2-yl)phenyl]propan-1-one?
The InChIKey is QCTUCXGKLJHTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-11(15)9-5-3-4-6-10(9)14-12-7-8-13-14/h3-8H,2H2,1H3.
What are the key properties of 1-[2-(triazol-2-yl)phenyl]propan-1-one?
1-[2-(triazol-2-yl)phenyl]propan-1-one has a molecular weight of 201.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(triazol-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 70794389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).