triazonin-4-one

C6H5N3O — CID 67645436

IUPACtriazonin-4-one
SMILESO=C1C=CC=CC=N/N=N\1
InChIInChI=1S/C6H5N3O/c10-6-4-2-1-3-5-7-9-8-6/h1-5H/b3-1?,4-2?,7-5?,9-8-
InChIKeyLVOJCJABQXMOQA-MJABTSRESA-N
MW135.13 g/mol
LogP1.08
Rot. Bonds

About triazonin-4-one

triazonin-4-one (PubChem CID 67645436) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is triazonin-4-one.

Molecular Properties

Compound Nametriazonin-4-one
PubChem CID67645436
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Nametriazonin-4-one
SMILESO=C1C=CC=CC=N/N=N\1
InChIInChI=1S/C6H5N3O/c10-6-4-2-1-3-5-7-9-8-6/h1-5H/b3-1?,4-2?,7-5?,9-8-
InChIKeyLVOJCJABQXMOQA-MJABTSRESA-N
XLogP1.08
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze triazonin-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

Related Compounds

Triazepinone
CID 22499071
Azoninone
CID 23322754
Azonin-2-one
CID 74031286
1,2,3,4,5-Pentazacyclopentadeca-2,4,7,9,11,13,15-heptaen-6-one
CID 162346572

Frequently Asked Questions

What is the IUPAC name of triazonin-4-one?
The IUPAC name of triazonin-4-one (CID 67645436) is triazonin-4-one.
What is the SMILES notation for triazonin-4-one?
The canonical SMILES for triazonin-4-one is O=C1C=CC=CC=N/N=N\1.
What is the InChIKey of triazonin-4-one?
The InChIKey is LVOJCJABQXMOQA-MJABTSRESA-N. The full InChI is InChI=1S/C6H5N3O/c10-6-4-2-1-3-5-7-9-8-6/h1-5H/b3-1?,4-2?,7-5?,9-8-.
What are the key properties of triazonin-4-one?
triazonin-4-one has a molecular weight of 135.13 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazonin-4-one is sourced from PubChem (CID 67645436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).