bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate

CH11N9O9 — CID 173210946

IUPACbis(nitric acid);triamino(carbamimidoyl)azanium;nitrate
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].[H]/N=C(\N)[N+](N)(N)N
InChIInChI=1S/CH9N6.2HNO3.NO3/c2-1(3)7(4,5)6;3*2-1(3)4/h4-6H2,(H3,2,3);2*(H,2,3,4);/q+1;;;-1
InChIKeyZVAGWJOXFAQGSG-UHFFFAOYSA-N
MW293.15 g/mol
LogP-3.62
Rot. Bonds

About bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate

bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate (PubChem CID 173210946) has the molecular formula CH11N9O9 and a molecular weight of 293.15 g/mol. Its IUPAC name is bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate.

Molecular Properties

Compound Namebis(nitric acid);triamino(carbamimidoyl)azanium;nitrate
PubChem CID173210946
Molecular FormulaCH11N9O9
Molecular Weight293.15 g/mol
Exact Mass293.07
IUPAC Namebis(nitric acid);triamino(carbamimidoyl)azanium;nitrate
SMILESO=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].[H]/N=C(\N)[N+](N)(N)N
InChIInChI=1S/CH9N6.2HNO3.NO3/c2-1(3)7(4,5)6;3*2-1(3)4/h4-6H2,(H3,2,3);2*(H,2,3,4);/q+1;;;-1
InChIKeyZVAGWJOXFAQGSG-UHFFFAOYSA-N
XLogP-3.62
TPSA320.87 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500293.15
LogP ≤ 5-3.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 174249776
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CID 174540476
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CID 54476770
bis(nitric acid);urea
CID 163580845
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CID 173436166
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CID 173116009
λ2-plumbane;nitric acid;nitrate
CID 173329498
dimagnesium;(nitric acid);tetranitrate
CID 173115606
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CID 157102146
nitric acid;urea;hexahydrate
CID 175389070
sodium;tris(nitric acid);phosphane;nitrate
CID 174885686
calcium;azane;bis(nitric acid);dinitrate
CID 173116154

Frequently Asked Questions

What is the IUPAC name of bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate?
The IUPAC name of bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate (CID 173210946) is bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate.
What is the SMILES notation for bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate?
The canonical SMILES for bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate is O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])[O-].[H]/N=C(\N)[N+](N)(N)N.
What is the InChIKey of bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate?
The InChIKey is ZVAGWJOXFAQGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH9N6.2HNO3.NO3/c2-1(3)7(4,5)6;3*2-1(3)4/h4-6H2,(H3,2,3);2*(H,2,3,4);/q+1;;;-1.
What are the key properties of bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate?
bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate has a molecular weight of 293.15 g/mol, XLogP of -3.62, 0 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(nitric acid);triamino(carbamimidoyl)azanium;nitrate is sourced from PubChem (CID 173210946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).