7-phenyl-3H-1,2,3-benzotriazin-4-one

C13H9N3O — CID 175381328

IUPAC7-phenyl-3H-1,2,3-benzotriazin-4-one
SMILESO=c1[nH]nnc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C13H9N3O/c17-13-11-7-6-10(8-12(11)14-16-15-13)9-4-2-1-3-5-9/h1-8H,(H,14,15,17)
InChIKeyFZFJMPZXZWRHGY-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.99
Rot. Bonds1

About 7-phenyl-3H-1,2,3-benzotriazin-4-one

7-phenyl-3H-1,2,3-benzotriazin-4-one (PubChem CID 175381328) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 7-phenyl-3H-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name7-phenyl-3H-1,2,3-benzotriazin-4-one
PubChem CID175381328
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name7-phenyl-3H-1,2,3-benzotriazin-4-one
SMILESO=c1[nH]nnc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C13H9N3O/c17-13-11-7-6-10(8-12(11)14-16-15-13)9-4-2-1-3-5-9/h1-8H,(H,14,15,17)
InChIKeyFZFJMPZXZWRHGY-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-phenyl-3H-1,2,3-benzotriazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3H-1,2,3-benzotriazin-4-one?
The IUPAC name of 7-phenyl-3H-1,2,3-benzotriazin-4-one (CID 175381328) is 7-phenyl-3H-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 7-phenyl-3H-1,2,3-benzotriazin-4-one?
The canonical SMILES for 7-phenyl-3H-1,2,3-benzotriazin-4-one is O=c1[nH]nnc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 7-phenyl-3H-1,2,3-benzotriazin-4-one?
The InChIKey is FZFJMPZXZWRHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13-11-7-6-10(8-12(11)14-16-15-13)9-4-2-1-3-5-9/h1-8H,(H,14,15,17).
What are the key properties of 7-phenyl-3H-1,2,3-benzotriazin-4-one?
7-phenyl-3H-1,2,3-benzotriazin-4-one has a molecular weight of 223.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3H-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 175381328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).