2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione

C10H10N4O2 — CID 67713840

IUPAC2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione
SMILESO=C1NNC(=O)C2Nc3ccccc3NC12
InChIInChI=1S/C10H10N4O2/c15-9-7-8(10(16)14-13-9)12-6-4-2-1-3-5(6)11-7/h1-4,7-8,11-12H,(H,13,15)(H,14,16)
InChIKeyZWQOVCMCMHGZRW-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.58
Rot. Bonds

About 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione

2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione (PubChem CID 67713840) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione.

Molecular Properties

Compound Name2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione
PubChem CID67713840
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione
SMILESO=C1NNC(=O)C2Nc3ccccc3NC12
InChIInChI=1S/C10H10N4O2/c15-9-7-8(10(16)14-13-9)12-6-4-2-1-3-5(6)11-7/h1-4,7-8,11-12H,(H,13,15)(H,14,16)
InChIKeyZWQOVCMCMHGZRW-UHFFFAOYSA-N
XLogP-0.58
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione?
The IUPAC name of 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione (CID 67713840) is 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione.
What is the SMILES notation for 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione?
The canonical SMILES for 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione is O=C1NNC(=O)C2Nc3ccccc3NC12.
What is the InChIKey of 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione?
The InChIKey is ZWQOVCMCMHGZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-9-7-8(10(16)14-13-9)12-6-4-2-1-3-5(6)11-7/h1-4,7-8,11-12H,(H,13,15)(H,14,16).
What are the key properties of 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione?
2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione has a molecular weight of 218.22 g/mol, XLogP of -0.58, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,10,10a-hexahydropyridazino[4,5-b]quinoxaline-1,4-dione is sourced from PubChem (CID 67713840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).