azane;nitric acid;hydrochloride

H8ClN3O3 — CID 173035617

IUPACazane;nitric acid;hydrochloride
SMILESCl.N.N.O=[N+]([O-])O
InChIInChI=1S/ClH.HNO3.2H3N/c;2-1(3)4;;/h1H;(H,2,3,4);2*1H3
InChIKeyDSDOSPRFSWQRGD-UHFFFAOYSA-N
MW133.54 g/mol
LogP0.40
Rot. Bonds

About azane;nitric acid;hydrochloride

azane;nitric acid;hydrochloride (PubChem CID 173035617) has the molecular formula H8ClN3O3 and a molecular weight of 133.54 g/mol. Its IUPAC name is azane;nitric acid;hydrochloride.

Molecular Properties

Compound Nameazane;nitric acid;hydrochloride
PubChem CID173035617
Molecular FormulaH8ClN3O3
Molecular Weight133.54 g/mol
Exact Mass133.03
IUPAC Nameazane;nitric acid;hydrochloride
SMILESCl.N.N.O=[N+]([O-])O
InChIInChI=1S/ClH.HNO3.2H3N/c;2-1(3)4;;/h1H;(H,2,3,4);2*1H3
InChIKeyDSDOSPRFSWQRGD-UHFFFAOYSA-N
XLogP0.40
TPSA133.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.54
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;tetrakis(nitric acid)
CID 173388272
azane;decakis(nitric acid)
CID 173055393
azane;(nitric acid)
CID 173431766
azane;bis(nitric acid);palladium
CID 6368740
azane;nitric acid;rhodium
CID 173316947
azane;cobalt;nitric acid
CID 173271865
CID 173051744
CID 173051744
azane;nitric acid;palladium
CID 173303143
calcium;azane;bis(nitric acid);dinitrate
CID 173116154
azane;nitric acid;platinum;dihydrate
CID 173107458
azane;ethene;nitric acid
CID 175531507
iron(3+);nitric acid;trichloride;hydrochloride
CID 174712730

Frequently Asked Questions

What is the IUPAC name of azane;nitric acid;hydrochloride?
The IUPAC name of azane;nitric acid;hydrochloride (CID 173035617) is azane;nitric acid;hydrochloride.
What is the SMILES notation for azane;nitric acid;hydrochloride?
The canonical SMILES for azane;nitric acid;hydrochloride is Cl.N.N.O=[N+]([O-])O.
What is the InChIKey of azane;nitric acid;hydrochloride?
The InChIKey is DSDOSPRFSWQRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.HNO3.2H3N/c;2-1(3)4;;/h1H;(H,2,3,4);2*1H3.
What are the key properties of azane;nitric acid;hydrochloride?
azane;nitric acid;hydrochloride has a molecular weight of 133.54 g/mol, XLogP of 0.40, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;nitric acid;hydrochloride is sourced from PubChem (CID 173035617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).