3H-pyridazino[4,5-b]quinoxalin-4-one

C10H6N4O — CID 3046229

IUPAC3H-pyridazino[4,5-b]quinoxalin-4-one
SMILESO=c1[nH]ncc2nc3ccccc3nc12
InChIInChI=1S/C10H6N4O/c15-10-9-8(5-11-14-10)12-6-3-1-2-4-7(6)13-9/h1-5H,(H,14,15)
InChIKeyOHZWTYRHGCSMCS-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.87
Rot. Bonds

About 3H-pyridazino[4,5-b]quinoxalin-4-one

3H-pyridazino[4,5-b]quinoxalin-4-one (PubChem CID 3046229) has the molecular formula C10H6N4O and a molecular weight of 198.19 g/mol. Its IUPAC name is 3H-pyridazino[4,5-b]quinoxalin-4-one.

Molecular Properties

Compound Name3H-pyridazino[4,5-b]quinoxalin-4-one
PubChem CID3046229
Molecular FormulaC10H6N4O
Molecular Weight198.19 g/mol
Exact Mass198.05
IUPAC Name3H-pyridazino[4,5-b]quinoxalin-4-one
SMILESO=c1[nH]ncc2nc3ccccc3nc12
InChIInChI=1S/C10H6N4O/c15-10-9-8(5-11-14-10)12-6-3-1-2-4-7(6)13-9/h1-5H,(H,14,15)
InChIKeyOHZWTYRHGCSMCS-UHFFFAOYSA-N
XLogP0.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3H-pyridazino[4,5-b]quinoxalin-4-one?
The IUPAC name of 3H-pyridazino[4,5-b]quinoxalin-4-one (CID 3046229) is 3H-pyridazino[4,5-b]quinoxalin-4-one.
What is the SMILES notation for 3H-pyridazino[4,5-b]quinoxalin-4-one?
The canonical SMILES for 3H-pyridazino[4,5-b]quinoxalin-4-one is O=c1[nH]ncc2nc3ccccc3nc12.
What is the InChIKey of 3H-pyridazino[4,5-b]quinoxalin-4-one?
The InChIKey is OHZWTYRHGCSMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c15-10-9-8(5-11-14-10)12-6-3-1-2-4-7(6)13-9/h1-5H,(H,14,15).
What are the key properties of 3H-pyridazino[4,5-b]quinoxalin-4-one?
3H-pyridazino[4,5-b]quinoxalin-4-one has a molecular weight of 198.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridazino[4,5-b]quinoxalin-4-one is sourced from PubChem (CID 3046229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).