diazenyl-(2,5-dioxopyrrol-1-yl)azanide

C4H3N4O2- — CID 20637220

IUPACdiazenyl-(2,5-dioxopyrrol-1-yl)azanide
SMILES[H]/N=N/[N-]N1C(=O)C=CC1=O
InChIInChI=1S/C4H3N4O2/c5-6-7-8-3(9)1-2-4(8)10/h1-2H,(H-,5,7)/q-1
InChIKeyUOAVNLLDGUFVQP-UHFFFAOYSA-N
MW139.09 g/mol
LogP0.15
Rot. Bonds2

About diazenyl-(2,5-dioxopyrrol-1-yl)azanide

diazenyl-(2,5-dioxopyrrol-1-yl)azanide (PubChem CID 20637220) has the molecular formula C4H3N4O2- and a molecular weight of 139.09 g/mol. Its IUPAC name is diazenyl-(2,5-dioxopyrrol-1-yl)azanide.

Molecular Properties

Compound Namediazenyl-(2,5-dioxopyrrol-1-yl)azanide
PubChem CID20637220
Molecular FormulaC4H3N4O2-
Molecular Weight139.09 g/mol
Exact Mass139.03
IUPAC Namediazenyl-(2,5-dioxopyrrol-1-yl)azanide
SMILES[H]/N=N/[N-]N1C(=O)C=CC1=O
InChIInChI=1S/C4H3N4O2/c5-6-7-8-3(9)1-2-4(8)10/h1-2H,(H-,5,7)/q-1
InChIKeyUOAVNLLDGUFVQP-UHFFFAOYSA-N
XLogP0.15
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazenyl-(2,5-dioxopyrrol-1-yl)azanide?
The IUPAC name of diazenyl-(2,5-dioxopyrrol-1-yl)azanide (CID 20637220) is diazenyl-(2,5-dioxopyrrol-1-yl)azanide.
What is the SMILES notation for diazenyl-(2,5-dioxopyrrol-1-yl)azanide?
The canonical SMILES for diazenyl-(2,5-dioxopyrrol-1-yl)azanide is [H]/N=N/[N-]N1C(=O)C=CC1=O.
What is the InChIKey of diazenyl-(2,5-dioxopyrrol-1-yl)azanide?
The InChIKey is UOAVNLLDGUFVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N4O2/c5-6-7-8-3(9)1-2-4(8)10/h1-2H,(H-,5,7)/q-1.
What are the key properties of diazenyl-(2,5-dioxopyrrol-1-yl)azanide?
diazenyl-(2,5-dioxopyrrol-1-yl)azanide has a molecular weight of 139.09 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazenyl-(2,5-dioxopyrrol-1-yl)azanide is sourced from PubChem (CID 20637220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).