5-nitrotetrazolidine

CH5N5O2 — CID 89199840

IUPAC5-nitrotetrazolidine
SMILESO=[N+]([O-])C1NNNN1
InChIInChI=1S/CH5N5O2/c7-6(8)1-2-4-5-3-1/h1-5H
InChIKeyBEUGPHXMEODYDN-UHFFFAOYSA-N
MW119.08 g/mol
LogP-2.34
Rot. Bonds1

About 5-nitrotetrazolidine

5-nitrotetrazolidine (PubChem CID 89199840) has the molecular formula CH5N5O2 and a molecular weight of 119.08 g/mol. Its IUPAC name is 5-nitrotetrazolidine.

Molecular Properties

Compound Name5-nitrotetrazolidine
PubChem CID89199840
Molecular FormulaCH5N5O2
Molecular Weight119.08 g/mol
Exact Mass119.04
IUPAC Name5-nitrotetrazolidine
SMILESO=[N+]([O-])C1NNNN1
InChIInChI=1S/CH5N5O2/c7-6(8)1-2-4-5-3-1/h1-5H
InChIKeyBEUGPHXMEODYDN-UHFFFAOYSA-N
XLogP-2.34
TPSA91.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-nitrotetrazolidine?
The IUPAC name of 5-nitrotetrazolidine (CID 89199840) is 5-nitrotetrazolidine.
What is the SMILES notation for 5-nitrotetrazolidine?
The canonical SMILES for 5-nitrotetrazolidine is O=[N+]([O-])C1NNNN1.
What is the InChIKey of 5-nitrotetrazolidine?
The InChIKey is BEUGPHXMEODYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N5O2/c7-6(8)1-2-4-5-3-1/h1-5H.
What are the key properties of 5-nitrotetrazolidine?
5-nitrotetrazolidine has a molecular weight of 119.08 g/mol, XLogP of -2.34, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrotetrazolidine is sourced from PubChem (CID 89199840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).