oxido(oxo)azanium;2H-tetrazole;iodide

CH3IN5O2- — CID 139326837

IUPACoxido(oxo)azanium;2H-tetrazole;iodide
SMILESO=[NH+][O-].[I-].c1nn[nH]n1
InChIInChI=1S/CH2N4.HI.HNO2/c1-2-4-5-3-1;;2-1-3/h1H,(H,2,3,4,5);1H;1H/p-1
InChIKeyGQHBNRLIHRKBIV-UHFFFAOYSA-M
MW243.97 g/mol
LogP-5.47
Rot. Bonds

About oxido(oxo)azanium;2H-tetrazole;iodide

oxido(oxo)azanium;2H-tetrazole;iodide (PubChem CID 139326837) has the molecular formula CH3IN5O2- and a molecular weight of 243.97 g/mol. Its IUPAC name is oxido(oxo)azanium;2H-tetrazole;iodide.

Molecular Properties

Compound Nameoxido(oxo)azanium;2H-tetrazole;iodide
PubChem CID139326837
Molecular FormulaCH3IN5O2-
Molecular Weight243.97 g/mol
Exact Mass243.93
IUPAC Nameoxido(oxo)azanium;2H-tetrazole;iodide
SMILESO=[NH+][O-].[I-].c1nn[nH]n1
InChIInChI=1S/CH2N4.HI.HNO2/c1-2-4-5-3-1;;2-1-3/h1H,(H,2,3,4,5);1H;1H/p-1
InChIKeyGQHBNRLIHRKBIV-UHFFFAOYSA-M
XLogP-5.47
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.97
LogP ≤ 5-5.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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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Frequently Asked Questions

What is the IUPAC name of oxido(oxo)azanium;2H-tetrazole;iodide?
The IUPAC name of oxido(oxo)azanium;2H-tetrazole;iodide (CID 139326837) is oxido(oxo)azanium;2H-tetrazole;iodide.
What is the SMILES notation for oxido(oxo)azanium;2H-tetrazole;iodide?
The canonical SMILES for oxido(oxo)azanium;2H-tetrazole;iodide is O=[NH+][O-].[I-].c1nn[nH]n1.
What is the InChIKey of oxido(oxo)azanium;2H-tetrazole;iodide?
The InChIKey is GQHBNRLIHRKBIV-UHFFFAOYSA-M. The full InChI is InChI=1S/CH2N4.HI.HNO2/c1-2-4-5-3-1;;2-1-3/h1H,(H,2,3,4,5);1H;1H/p-1.
What are the key properties of oxido(oxo)azanium;2H-tetrazole;iodide?
oxido(oxo)azanium;2H-tetrazole;iodide has a molecular weight of 243.97 g/mol, XLogP of -5.47, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(oxo)azanium;2H-tetrazole;iodide is sourced from PubChem (CID 139326837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).