potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride

C3H3KN6O6 — CID 175238807

IUPACpotassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride
SMILESO=[N+]([O-])c1nc(C([N+](=O)[O-])[N+](=O)[O-])n[nH]1.[H-].[K+]
InChIInChI=1S/C3H2N6O6.K.H/c10-7(11)2(8(12)13)1-4-3(6-5-1)9(14)15;;/h2H,(H,4,5,6);;/q;+1;-1
InChIKeyNKSYUIXHZCSVLH-UHFFFAOYSA-N
MW258.19 g/mol
LogP-3.62
Rot. Bonds4

About potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride

potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride (PubChem CID 175238807) has the molecular formula C3H3KN6O6 and a molecular weight of 258.19 g/mol. Its IUPAC name is potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride.

Molecular Properties

Compound Namepotassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride
PubChem CID175238807
Molecular FormulaC3H3KN6O6
Molecular Weight258.19 g/mol
Exact Mass257.98
IUPAC Namepotassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride
SMILESO=[N+]([O-])c1nc(C([N+](=O)[O-])[N+](=O)[O-])n[nH]1.[H-].[K+]
InChIInChI=1S/C3H2N6O6.K.H/c10-7(11)2(8(12)13)1-4-3(6-5-1)9(14)15;;/h2H,(H,4,5,6);;/q;+1;-1
InChIKeyNKSYUIXHZCSVLH-UHFFFAOYSA-N
XLogP-3.62
TPSA170.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 5-3.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride?
The IUPAC name of potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride (CID 175238807) is potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride.
What is the SMILES notation for potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride?
The canonical SMILES for potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride is O=[N+]([O-])c1nc(C([N+](=O)[O-])[N+](=O)[O-])n[nH]1.[H-].[K+].
What is the InChIKey of potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride?
The InChIKey is NKSYUIXHZCSVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N6O6.K.H/c10-7(11)2(8(12)13)1-4-3(6-5-1)9(14)15;;/h2H,(H,4,5,6);;/q;+1;-1.
What are the key properties of potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride?
potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride has a molecular weight of 258.19 g/mol, XLogP of -3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-(dinitromethyl)-5-nitro-1H-1,2,4-triazole;hydride is sourced from PubChem (CID 175238807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).