azanium 1-nitramidotetrazole-5-carboxylate

C2H5N7O4 — CID 162335600

IUPACazanium 1-nitramidotetrazole-5-carboxylate
SMILESO=C([O-])c1nnnn1N[N+](=O)[O-].[NH4+]
InChIInChI=1S/C2H2N6O4.H3N/c9-2(10)1-3-4-5-7(1)6-8(11)12;/h6H,(H,9,10);1H3
InChIKeyINYDGNZMQGNZIU-UHFFFAOYSA-N
MW191.11 g/mol
LogP-2.85
Rot. Bonds3

About azanium 1-nitramidotetrazole-5-carboxylate

azanium 1-nitramidotetrazole-5-carboxylate (PubChem CID 162335600) has the molecular formula C2H5N7O4 and a molecular weight of 191.11 g/mol. Its IUPAC name is azanium 1-nitramidotetrazole-5-carboxylate.

Molecular Properties

Compound Nameazanium 1-nitramidotetrazole-5-carboxylate
PubChem CID162335600
Molecular FormulaC2H5N7O4
Molecular Weight191.11 g/mol
Exact Mass191.04
IUPAC Nameazanium 1-nitramidotetrazole-5-carboxylate
SMILESO=C([O-])c1nnnn1N[N+](=O)[O-].[NH4+]
InChIInChI=1S/C2H2N6O4.H3N/c9-2(10)1-3-4-5-7(1)6-8(11)12;/h6H,(H,9,10);1H3
InChIKeyINYDGNZMQGNZIU-UHFFFAOYSA-N
XLogP-2.85
TPSA175.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 5-2.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cobalt(3+);bis(1-nitramidotetrazole-5-carboxylate);azide
CID 158718346
copper bis(1-chlorotetrazole-5-carboxylate)
CID 70469364
1-sulfanyltetrazole-5-carboxylic acid
CID 138470335
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
1-azidotetrazole-5-carboxylic acid
CID 90273187
(5-aminotetrazol-1-yl) nitrate
CID 70017504
nitric acid;tetrazole-1,5-diamine
CID 13378165
1-chloro-5-nitrotetrazole
CID 69030481
1-benzyltetrazole-5-carboxamide
CID 122714819
5-butyl-1-nitrotetrazole
CID 69033000

Frequently Asked Questions

What is the IUPAC name of azanium 1-nitramidotetrazole-5-carboxylate?
The IUPAC name of azanium 1-nitramidotetrazole-5-carboxylate (CID 162335600) is azanium 1-nitramidotetrazole-5-carboxylate.
What is the SMILES notation for azanium 1-nitramidotetrazole-5-carboxylate?
The canonical SMILES for azanium 1-nitramidotetrazole-5-carboxylate is O=C([O-])c1nnnn1N[N+](=O)[O-].[NH4+].
What is the InChIKey of azanium 1-nitramidotetrazole-5-carboxylate?
The InChIKey is INYDGNZMQGNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N6O4.H3N/c9-2(10)1-3-4-5-7(1)6-8(11)12;/h6H,(H,9,10);1H3.
What are the key properties of azanium 1-nitramidotetrazole-5-carboxylate?
azanium 1-nitramidotetrazole-5-carboxylate has a molecular weight of 191.11 g/mol, XLogP of -2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 1-nitramidotetrazole-5-carboxylate is sourced from PubChem (CID 162335600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).