disodium;3,5-dinitropyrazol-1-id-4-olate

C3N4Na2O5 — CID 139214846

IUPACdisodium;3,5-dinitropyrazol-1-id-4-olate
SMILESO=[N+]([O-])c1n[n-]c([N+](=O)[O-])c1[O-].[Na+].[Na+]
InChIInChI=1S/C3HN4O5.2Na/c8-1-2(6(9)10)4-5-3(1)7(11)12;;/h(H-,4,5,8);;/q-1;2*+1/p-1
InChIKeyZMEJKKIKCZUYNF-UHFFFAOYSA-M
MW218.04 g/mol
LogP-7.06
Rot. Bonds2

About disodium;3,5-dinitropyrazol-1-id-4-olate

disodium;3,5-dinitropyrazol-1-id-4-olate (PubChem CID 139214846) has the molecular formula C3N4Na2O5 and a molecular weight of 218.04 g/mol. Its IUPAC name is disodium;3,5-dinitropyrazol-1-id-4-olate.

Molecular Properties

Compound Namedisodium;3,5-dinitropyrazol-1-id-4-olate
PubChem CID139214846
Molecular FormulaC3N4Na2O5
Molecular Weight218.04 g/mol
Exact Mass217.97
IUPAC Namedisodium;3,5-dinitropyrazol-1-id-4-olate
SMILESO=[N+]([O-])c1n[n-]c([N+](=O)[O-])c1[O-].[Na+].[Na+]
InChIInChI=1S/C3HN4O5.2Na/c8-1-2(6(9)10)4-5-3(1)7(11)12;;/h(H-,4,5,8);;/q-1;2*+1/p-1
InChIKeyZMEJKKIKCZUYNF-UHFFFAOYSA-M
XLogP-7.06
TPSA136.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 5-7.06
H-Bond Donors ≤ 50
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 disodium;3,5-dinitropyrazol-1-id-4-olate?
The IUPAC name of disodium;3,5-dinitropyrazol-1-id-4-olate (CID 139214846) is disodium;3,5-dinitropyrazol-1-id-4-olate.
What is the SMILES notation for disodium;3,5-dinitropyrazol-1-id-4-olate?
The canonical SMILES for disodium;3,5-dinitropyrazol-1-id-4-olate is O=[N+]([O-])c1n[n-]c([N+](=O)[O-])c1[O-].[Na+].[Na+].
What is the InChIKey of disodium;3,5-dinitropyrazol-1-id-4-olate?
The InChIKey is ZMEJKKIKCZUYNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HN4O5.2Na/c8-1-2(6(9)10)4-5-3(1)7(11)12;;/h(H-,4,5,8);;/q-1;2*+1/p-1.
What are the key properties of disodium;3,5-dinitropyrazol-1-id-4-olate?
disodium;3,5-dinitropyrazol-1-id-4-olate has a molecular weight of 218.04 g/mol, XLogP of -7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3,5-dinitropyrazol-1-id-4-olate is sourced from PubChem (CID 139214846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).