2-diazenylethenediazonium

C2H3N4+ — CID 90972574

IUPAC2-diazenylethenediazonium
SMILES[H]/N=N/C=C[N+]#N
InChIInChI=1S/C2H3N4/c3-5-1-2-6-4/h1-3H/q+1/b2-1?,5-3+
InChIKeyDVTSEIKIXMWIFU-WIUJKTOSSA-N
MW83.07 g/mol
LogP1.34
Rot. Bonds1

About 2-diazenylethenediazonium

2-diazenylethenediazonium (PubChem CID 90972574) has the molecular formula C2H3N4+ and a molecular weight of 83.07 g/mol. Its IUPAC name is 2-diazenylethenediazonium.

Molecular Properties

Compound Name2-diazenylethenediazonium
PubChem CID90972574
Molecular FormulaC2H3N4+
Molecular Weight83.07 g/mol
Exact Mass83.04
IUPAC Name2-diazenylethenediazonium
SMILES[H]/N=N/C=C[N+]#N
InChIInChI=1S/C2H3N4/c3-5-1-2-6-4/h1-3H/q+1/b2-1?,5-3+
InChIKeyDVTSEIKIXMWIFU-WIUJKTOSSA-N
XLogP1.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.07
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazenylethenediazonium?
The IUPAC name of 2-diazenylethenediazonium (CID 90972574) is 2-diazenylethenediazonium.
What is the SMILES notation for 2-diazenylethenediazonium?
The canonical SMILES for 2-diazenylethenediazonium is [H]/N=N/C=C[N+]#N.
What is the InChIKey of 2-diazenylethenediazonium?
The InChIKey is DVTSEIKIXMWIFU-WIUJKTOSSA-N. The full InChI is InChI=1S/C2H3N4/c3-5-1-2-6-4/h1-3H/q+1/b2-1?,5-3+.
What are the key properties of 2-diazenylethenediazonium?
2-diazenylethenediazonium has a molecular weight of 83.07 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylethenediazonium is sourced from PubChem (CID 90972574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).