benzotriazol-1-yl(phenyl)methanone

C13H9N3O — CID 570059

IUPACbenzotriazol-1-yl(phenyl)methanone
SMILESO=C(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H
InChIKeyUJEMOXPSTTXLRE-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.12
Rot. Bonds1

About benzotriazol-1-yl(phenyl)methanone

benzotriazol-1-yl(phenyl)methanone (PubChem CID 570059) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is benzotriazol-1-yl(phenyl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl(phenyl)methanone
PubChem CID570059
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Namebenzotriazol-1-yl(phenyl)methanone
SMILESO=C(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H
InChIKeyUJEMOXPSTTXLRE-UHFFFAOYSA-N
XLogP2.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl(phenyl)methanone?
The IUPAC name of benzotriazol-1-yl(phenyl)methanone (CID 570059) is benzotriazol-1-yl(phenyl)methanone.
What is the SMILES notation for benzotriazol-1-yl(phenyl)methanone?
The canonical SMILES for benzotriazol-1-yl(phenyl)methanone is O=C(c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl(phenyl)methanone?
The InChIKey is UJEMOXPSTTXLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H.
What are the key properties of benzotriazol-1-yl(phenyl)methanone?
benzotriazol-1-yl(phenyl)methanone has a molecular weight of 223.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl(phenyl)methanone is sourced from PubChem (CID 570059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).