diazide;hydrochloride

HClN6-2 — CID 172846328

IUPACdiazide;hydrochloride
SMILESCl.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/ClH.2N3/c;2*1-3-2/h1H;;/q;2*-1
InChIKeyXLXDAFQXYMDFJS-UHFFFAOYSA-N
MW120.50 g/mol
LogP2.15
Rot. Bonds

About diazide;hydrochloride

diazide;hydrochloride (PubChem CID 172846328) has the molecular formula HClN6-2 and a molecular weight of 120.50 g/mol. Its IUPAC name is diazide;hydrochloride.

Molecular Properties

Compound Namediazide;hydrochloride
PubChem CID172846328
Molecular FormulaHClN6-2
Molecular Weight120.50 g/mol
Exact Mass120.00
IUPAC Namediazide;hydrochloride
SMILESCl.[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/ClH.2N3/c;2*1-3-2/h1H;;/q;2*-1
InChIKeyXLXDAFQXYMDFJS-UHFFFAOYSA-N
XLogP2.15
TPSA117.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.50
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diazide;hydrochloride?
The IUPAC name of diazide;hydrochloride (CID 172846328) is diazide;hydrochloride.
What is the SMILES notation for diazide;hydrochloride?
The canonical SMILES for diazide;hydrochloride is Cl.[N-]=[N+]=[N-].[N-]=[N+]=[N-].
What is the InChIKey of diazide;hydrochloride?
The InChIKey is XLXDAFQXYMDFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.2N3/c;2*1-3-2/h1H;;/q;2*-1.
What are the key properties of diazide;hydrochloride?
diazide;hydrochloride has a molecular weight of 120.50 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diazide;hydrochloride is sourced from PubChem (CID 172846328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).