1-[2-(triazol-1-yl)phenyl]ethanone

C10H9N3O — CID 82602415

IUPAC1-[2-(triazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-n1ccnn1
InChIInChI=1S/C10H9N3O/c1-8(14)9-4-2-3-5-10(9)13-7-6-11-12-13/h2-7H,1H3
InChIKeyVCEJGOCGWVXUMU-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.47
Rot. Bonds2

About 1-[2-(triazol-1-yl)phenyl]ethanone

1-[2-(triazol-1-yl)phenyl]ethanone (PubChem CID 82602415) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-[2-(triazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(triazol-1-yl)phenyl]ethanone
PubChem CID82602415
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-[2-(triazol-1-yl)phenyl]ethanone
SMILESCC(=O)c1ccccc1-n1ccnn1
InChIInChI=1S/C10H9N3O/c1-8(14)9-4-2-3-5-10(9)13-7-6-11-12-13/h2-7H,1H3
InChIKeyVCEJGOCGWVXUMU-UHFFFAOYSA-N
XLogP1.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(triazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(triazol-1-yl)phenyl]ethanone (CID 82602415) is 1-[2-(triazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(triazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(triazol-1-yl)phenyl]ethanone is CC(=O)c1ccccc1-n1ccnn1.
What is the InChIKey of 1-[2-(triazol-1-yl)phenyl]ethanone?
The InChIKey is VCEJGOCGWVXUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-8(14)9-4-2-3-5-10(9)13-7-6-11-12-13/h2-7H,1H3.
What are the key properties of 1-[2-(triazol-1-yl)phenyl]ethanone?
1-[2-(triazol-1-yl)phenyl]ethanone has a molecular weight of 187.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(triazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 82602415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).