CID 173313394

H6N4O6 — CID 173313394

IUPAC—
SMILESNO[N+](N)([O-])O.O=[N+]([O-])O
InChIInChI=1S/H5N3O3.HNO3/c1-3(4,5)6-2;2-1(3)4/h4H,1-2H2;(H,2,3,4)
InChIKeyUIZVHVKXAFZITH-UHFFFAOYSA-N
MW158.07 g/mol
LogP-1.98
Rot. Bonds1

About CID 173313394

CID 173313394 (PubChem CID 173313394) has the molecular formula H6N4O6 and a molecular weight of 158.07 g/mol.

Molecular Properties

Compound NameCID 173313394
PubChem CID173313394
Molecular FormulaH6N4O6
Molecular Weight158.07 g/mol
Exact Mass158.03
IUPAC Name—
SMILESNO[N+](N)([O-])O.O=[N+]([O-])O
InChIInChI=1S/H5N3O3.HNO3/c1-3(4,5)6-2;2-1(3)4/h4H,1-2H2;(H,2,3,4)
InChIKeyUIZVHVKXAFZITH-UHFFFAOYSA-N
XLogP-1.98
TPSA167.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 72833329
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CID 173018650
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azane;tetrakis(nitric acid)
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Frequently Asked Questions

What is the IUPAC name of CID 173313394?
The IUPAC name of CID 173313394 (CID 173313394) is not available.
What is the SMILES notation for CID 173313394?
The canonical SMILES for CID 173313394 is NO[N+](N)([O-])O.O=[N+]([O-])O.
What is the InChIKey of CID 173313394?
The InChIKey is UIZVHVKXAFZITH-UHFFFAOYSA-N. The full InChI is InChI=1S/H5N3O3.HNO3/c1-3(4,5)6-2;2-1(3)4/h4H,1-2H2;(H,2,3,4).
What are the key properties of CID 173313394?
CID 173313394 has a molecular weight of 158.07 g/mol, XLogP of -1.98, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173313394 is sourced from PubChem (CID 173313394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).