cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide

C4H2CoN15O8 — CID 158718346

IUPACcobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide
SMILESO=C([O-])c1nnnn1N[N+](=O)[O-].O=C([O-])c1nnnn1N[N+](=O)[O-].[Co+3].[N-]=[N+]=[N-]
InChIInChI=1S/2C2H2N6O4.Co.N3/c2*9-2(10)1-3-4-5-7(1)6-8(11)12;;1-3-2/h2*6H,(H,9,10);;/q;;+3;-1/p-2
InChIKeyNMGFRNBHZKULET-UHFFFAOYSA-L
MW447.09 g/mol
LogP-5.59
Rot. Bonds6

About cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide

cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide (PubChem CID 158718346) has the molecular formula C4H2CoN15O8 and a molecular weight of 447.09 g/mol. Its IUPAC name is cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide.

Molecular Properties

Compound Namecobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide
PubChem CID158718346
Molecular FormulaC4H2CoN15O8
Molecular Weight447.09 g/mol
Exact Mass446.95
IUPAC Namecobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide
SMILESO=C([O-])c1nnnn1N[N+](=O)[O-].O=C([O-])c1nnnn1N[N+](=O)[O-].[Co+3].[N-]=[N+]=[N-]
InChIInChI=1S/2C2H2N6O4.Co.N3/c2*9-2(10)1-3-4-5-7(1)6-8(11)12;;1-3-2/h2*6H,(H,9,10);;/q;;+3;-1/p-2
InChIKeyNMGFRNBHZKULET-UHFFFAOYSA-L
XLogP-5.59
TPSA336.50 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.09
LogP ≤ 5-5.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

azanium 1-nitramidotetrazole-5-carboxylate
CID 162335600
copper bis(1-chlorotetrazole-5-carboxylate)
CID 70469364
1-azidotetrazole-5-carboxylic acid
CID 90273187
barium(2+);hydrogen carbonate;azide
CID 162151656
1-sulfanyltetrazole-5-carboxylic acid
CID 138470335
1-chloro-5-nitrotetrazole
CID 69030481
azanium;potassium;hydrogen carbonate;nitrate
CID 161270012
1-[(2-nitrophenyl)methyl]tetrazole-5-carboxylic acid
CID 23354624
potassium 3,5-dinitrotriazole-4-carboxylate
CID 87946922
(5-aminotetrazol-1-yl) nitrate
CID 70017504
nitric acid;tetrazole-1,5-diamine
CID 13378165
5-butyl-1-nitrotetrazole
CID 69033000

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide?
The IUPAC name of cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide (CID 158718346) is cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide.
What is the SMILES notation for cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide?
The canonical SMILES for cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide is O=C([O-])c1nnnn1N[N+](=O)[O-].O=C([O-])c1nnnn1N[N+](=O)[O-].[Co+3].[N-]=[N+]=[N-].
What is the InChIKey of cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide?
The InChIKey is NMGFRNBHZKULET-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H2N6O4.Co.N3/c2*9-2(10)1-3-4-5-7(1)6-8(11)12;;1-3-2/h2*6H,(H,9,10);;/q;;+3;-1/p-2.
What are the key properties of cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide?
cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide has a molecular weight of 447.09 g/mol, XLogP of -5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide is sourced from PubChem (CID 158718346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).