2-azanidylethylazanide;cobalt(2+);tetranitrite

C2H6CoN6O8-4 — CID 50912473

IUPAC2-azanidylethylazanide;cobalt(2+);tetranitrite
SMILESO=N[O-].O=N[O-].O=N[O-].O=N[O-].[Co+2].[NH-]CC[NH-]
InChIInChI=1S/C2H6N2.Co.4HNO2/c3-1-2-4;;4*2-1-3/h3-4H,1-2H2;;4*(H,2,3)/q-2;+2;;;;/p-4
InChIKeyAUHOAMGMYNBVIA-UHFFFAOYSA-J
MW301.04 g/mol
LogP2.09
Rot. Bonds1

About 2-azanidylethylazanide;cobalt(2+);tetranitrite

2-azanidylethylazanide;cobalt(2+);tetranitrite (PubChem CID 50912473) has the molecular formula C2H6CoN6O8-4 and a molecular weight of 301.04 g/mol. Its IUPAC name is 2-azanidylethylazanide;cobalt(2+);tetranitrite.

Molecular Properties

Compound Name2-azanidylethylazanide;cobalt(2+);tetranitrite
PubChem CID50912473
Molecular FormulaC2H6CoN6O8-4
Molecular Weight301.04 g/mol
Exact Mass300.96
IUPAC Name2-azanidylethylazanide;cobalt(2+);tetranitrite
SMILESO=N[O-].O=N[O-].O=N[O-].O=N[O-].[Co+2].[NH-]CC[NH-]
InChIInChI=1S/C2H6N2.Co.4HNO2/c3-1-2-4;;4*2-1-3/h3-4H,1-2H2;;4*(H,2,3)/q-2;+2;;;;/p-4
InChIKeyAUHOAMGMYNBVIA-UHFFFAOYSA-J
XLogP2.09
TPSA257.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.04
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azanidylethylazanide;cobalt(2+);tetranitrite?
The IUPAC name of 2-azanidylethylazanide;cobalt(2+);tetranitrite (CID 50912473) is 2-azanidylethylazanide;cobalt(2+);tetranitrite.
What is the SMILES notation for 2-azanidylethylazanide;cobalt(2+);tetranitrite?
The canonical SMILES for 2-azanidylethylazanide;cobalt(2+);tetranitrite is O=N[O-].O=N[O-].O=N[O-].O=N[O-].[Co+2].[NH-]CC[NH-].
What is the InChIKey of 2-azanidylethylazanide;cobalt(2+);tetranitrite?
The InChIKey is AUHOAMGMYNBVIA-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H6N2.Co.4HNO2/c3-1-2-4;;4*2-1-3/h3-4H,1-2H2;;4*(H,2,3)/q-2;+2;;;;/p-4.
What are the key properties of 2-azanidylethylazanide;cobalt(2+);tetranitrite?
2-azanidylethylazanide;cobalt(2+);tetranitrite has a molecular weight of 301.04 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidylethylazanide;cobalt(2+);tetranitrite is sourced from PubChem (CID 50912473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).