sodium 1-nitrotetrazole

CHN5NaO2+ — CID 23699658

IUPACsodium 1-nitrotetrazole
SMILESO=[N+]([O-])n1cnnn1.[Na+]
InChIInChI=1S/CHN5O2.Na/c7-6(8)5-1-2-3-4-5;/h1H;/q;+1
InChIKeyGXNGCSYRJFJQMV-UHFFFAOYSA-N
MW138.04 g/mol
LogP-4.28
Rot. Bonds1

About sodium 1-nitrotetrazole

sodium 1-nitrotetrazole (PubChem CID 23699658) has the molecular formula CHN5NaO2+ and a molecular weight of 138.04 g/mol. Its IUPAC name is sodium 1-nitrotetrazole.

Molecular Properties

Compound Namesodium 1-nitrotetrazole
PubChem CID23699658
Molecular FormulaCHN5NaO2+
Molecular Weight138.04 g/mol
Exact Mass138.00
IUPAC Namesodium 1-nitrotetrazole
SMILESO=[N+]([O-])n1cnnn1.[Na+]
InChIInChI=1S/CHN5O2.Na/c7-6(8)5-1-2-3-4-5;/h1H;/q;+1
InChIKeyGXNGCSYRJFJQMV-UHFFFAOYSA-N
XLogP-4.28
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.04
LogP ≤ 5-4.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 sodium 1-nitrotetrazole?
The IUPAC name of sodium 1-nitrotetrazole (CID 23699658) is sodium 1-nitrotetrazole.
What is the SMILES notation for sodium 1-nitrotetrazole?
The canonical SMILES for sodium 1-nitrotetrazole is O=[N+]([O-])n1cnnn1.[Na+].
What is the InChIKey of sodium 1-nitrotetrazole?
The InChIKey is GXNGCSYRJFJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/CHN5O2.Na/c7-6(8)5-1-2-3-4-5;/h1H;/q;+1.
What are the key properties of sodium 1-nitrotetrazole?
sodium 1-nitrotetrazole has a molecular weight of 138.04 g/mol, XLogP of -4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-nitrotetrazole is sourced from PubChem (CID 23699658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).