4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one

C16H11N7O3 — CID 10545716

IUPAC4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one
SMILESO=c1[nH]nc2nc3ccccc3nc2c1NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11N7O3/c24-16-14(20-19-9-5-7-10(8-6-9)23(25)26)13-15(21-22-16)18-12-4-2-1-3-11(12)17-13/h1-8,19H,(H,22,24)(H,18,20,21)
InChIKeyRCHBIZDCOOFPPS-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.21
Rot. Bonds4

About 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one

4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one (PubChem CID 10545716) has the molecular formula C16H11N7O3 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one.

Molecular Properties

Compound Name4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one
PubChem CID10545716
Molecular FormulaC16H11N7O3
Molecular Weight349.31 g/mol
Exact Mass349.09
IUPAC Name4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one
SMILESO=c1[nH]nc2nc3ccccc3nc2c1NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H11N7O3/c24-16-14(20-19-9-5-7-10(8-6-9)23(25)26)13-15(21-22-16)18-12-4-2-1-3-11(12)17-13/h1-8,19H,(H,22,24)(H,18,20,21)
InChIKeyRCHBIZDCOOFPPS-UHFFFAOYSA-N
XLogP2.21
TPSA138.73 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one?
The IUPAC name of 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one (CID 10545716) is 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one.
What is the SMILES notation for 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one?
The canonical SMILES for 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one is O=c1[nH]nc2nc3ccccc3nc2c1NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one?
The InChIKey is RCHBIZDCOOFPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N7O3/c24-16-14(20-19-9-5-7-10(8-6-9)23(25)26)13-15(21-22-16)18-12-4-2-1-3-11(12)17-13/h1-8,19H,(H,22,24)(H,18,20,21).
What are the key properties of 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one?
4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one has a molecular weight of 349.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-nitrophenyl)hydrazinyl]-2H-pyridazino[4,3-b]quinoxalin-3-one is sourced from PubChem (CID 10545716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).