azane;cyanamide;nitric acid

CH6N4O3 — CID 175278857

IUPACazane;cyanamide;nitric acid
SMILESN.N#CN.O=[N+]([O-])O
InChIInChI=1S/CH2N2.HNO3.H3N/c2-1-3;2-1(3)4;/h2H2;(H,2,3,4);1H3
InChIKeyMXOQAZJRJBJJRX-UHFFFAOYSA-N
MW122.08 g/mol
LogP-0.76
Rot. Bonds

About azane;cyanamide;nitric acid

azane;cyanamide;nitric acid (PubChem CID 175278857) has the molecular formula CH6N4O3 and a molecular weight of 122.08 g/mol. Its IUPAC name is azane;cyanamide;nitric acid.

Molecular Properties

Compound Nameazane;cyanamide;nitric acid
PubChem CID175278857
Molecular FormulaCH6N4O3
Molecular Weight122.08 g/mol
Exact Mass122.04
IUPAC Nameazane;cyanamide;nitric acid
SMILESN.N#CN.O=[N+]([O-])O
InChIInChI=1S/CH2N2.HNO3.H3N/c2-1-3;2-1(3)4;/h2H2;(H,2,3,4);1H3
InChIKeyMXOQAZJRJBJJRX-UHFFFAOYSA-N
XLogP-0.76
TPSA148.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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

tris(nitric acid);scandium;tetrahydrate
CID 131874908
azane;nitric acid;platinum;dihydrate
CID 173107458
azane;tetrakis(nitric acid)
CID 173388272
azane;(nitric acid)
CID 173431766
azane;nitric acid;silver;thiocyanic acid
CID 174403068
azane;decakis(nitric acid)
CID 173055393
nitric acid;dodecahydrate
CID 172786901
tris(nitric acid);hexahydrate
CID 161328835
CID 173051744
CID 173051744
tris(nitric acid);ytterbium;pentahydrate
CID 131852866
cobalt;nitric acid;nonahydrate
CID 173001621
nitric acid;zirconium;trihydrate
CID 173133136

Frequently Asked Questions

What is the IUPAC name of azane;cyanamide;nitric acid?
The IUPAC name of azane;cyanamide;nitric acid (CID 175278857) is azane;cyanamide;nitric acid.
What is the SMILES notation for azane;cyanamide;nitric acid?
The canonical SMILES for azane;cyanamide;nitric acid is N.N#CN.O=[N+]([O-])O.
What is the InChIKey of azane;cyanamide;nitric acid?
The InChIKey is MXOQAZJRJBJJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2.HNO3.H3N/c2-1-3;2-1(3)4;/h2H2;(H,2,3,4);1H3.
What are the key properties of azane;cyanamide;nitric acid?
azane;cyanamide;nitric acid has a molecular weight of 122.08 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyanamide;nitric acid is sourced from PubChem (CID 175278857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).