5-nitro-2H-tetrazole;hydroiodide

CH2IN5O2 — CID 159499881

IUPAC5-nitro-2H-tetrazole;hydroiodide
SMILESI.O=[N+]([O-])c1nn[nH]n1
InChIInChI=1S/CHN5O2.HI/c7-6(8)1-2-4-5-3-1;/h(H,2,3,4,5);1H
InChIKeyULVZIWIZLIQJMY-UHFFFAOYSA-N
MW242.96 g/mol
LogP-0.27
Rot. Bonds1

About 5-nitro-2H-tetrazole;hydroiodide

5-nitro-2H-tetrazole;hydroiodide (PubChem CID 159499881) has the molecular formula CH2IN5O2 and a molecular weight of 242.96 g/mol. Its IUPAC name is 5-nitro-2H-tetrazole;hydroiodide.

Molecular Properties

Compound Name5-nitro-2H-tetrazole;hydroiodide
PubChem CID159499881
Molecular FormulaCH2IN5O2
Molecular Weight242.96 g/mol
Exact Mass242.93
IUPAC Name5-nitro-2H-tetrazole;hydroiodide
SMILESI.O=[N+]([O-])c1nn[nH]n1
InChIInChI=1S/CHN5O2.HI/c7-6(8)1-2-4-5-3-1;/h(H,2,3,4,5);1H
InChIKeyULVZIWIZLIQJMY-UHFFFAOYSA-N
XLogP-0.27
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.96
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2H-tetrazole;hydroiodide?
The IUPAC name of 5-nitro-2H-tetrazole;hydroiodide (CID 159499881) is 5-nitro-2H-tetrazole;hydroiodide.
What is the SMILES notation for 5-nitro-2H-tetrazole;hydroiodide?
The canonical SMILES for 5-nitro-2H-tetrazole;hydroiodide is I.O=[N+]([O-])c1nn[nH]n1.
What is the InChIKey of 5-nitro-2H-tetrazole;hydroiodide?
The InChIKey is ULVZIWIZLIQJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN5O2.HI/c7-6(8)1-2-4-5-3-1;/h(H,2,3,4,5);1H.
What are the key properties of 5-nitro-2H-tetrazole;hydroiodide?
5-nitro-2H-tetrazole;hydroiodide has a molecular weight of 242.96 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2H-tetrazole;hydroiodide is sourced from PubChem (CID 159499881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).