potassium;hydride;5-nitro-1,2,4-triazol-3-one

C2HKN4O3 — CID 173468136

IUPACpotassium;hydride;5-nitro-1,2,4-triazol-3-one
SMILESO=C1N=NC([N+](=O)[O-])=N1.[H-].[K+]
InChIInChI=1S/C2N4O3.K.H/c7-2-3-1(4-5-2)6(8)9;;/q;+1;-1
InChIKeyGPVALIPKVNKMJG-UHFFFAOYSA-N
MW168.15 g/mol
LogP-2.68
Rot. Bonds

About potassium;hydride;5-nitro-1,2,4-triazol-3-one

potassium;hydride;5-nitro-1,2,4-triazol-3-one (PubChem CID 173468136) has the molecular formula C2HKN4O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is potassium;hydride;5-nitro-1,2,4-triazol-3-one.

Molecular Properties

Compound Namepotassium;hydride;5-nitro-1,2,4-triazol-3-one
PubChem CID173468136
Molecular FormulaC2HKN4O3
Molecular Weight168.15 g/mol
Exact Mass167.97
IUPAC Namepotassium;hydride;5-nitro-1,2,4-triazol-3-one
SMILESO=C1N=NC([N+](=O)[O-])=N1.[H-].[K+]
InChIInChI=1S/C2N4O3.K.H/c7-2-3-1(4-5-2)6(8)9;;/q;+1;-1
InChIKeyGPVALIPKVNKMJG-UHFFFAOYSA-N
XLogP-2.68
TPSA97.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-2.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 potassium;hydride;5-nitro-1,2,4-triazol-3-one?
The IUPAC name of potassium;hydride;5-nitro-1,2,4-triazol-3-one (CID 173468136) is potassium;hydride;5-nitro-1,2,4-triazol-3-one.
What is the SMILES notation for potassium;hydride;5-nitro-1,2,4-triazol-3-one?
The canonical SMILES for potassium;hydride;5-nitro-1,2,4-triazol-3-one is O=C1N=NC([N+](=O)[O-])=N1.[H-].[K+].
What is the InChIKey of potassium;hydride;5-nitro-1,2,4-triazol-3-one?
The InChIKey is GPVALIPKVNKMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N4O3.K.H/c7-2-3-1(4-5-2)6(8)9;;/q;+1;-1.
What are the key properties of potassium;hydride;5-nitro-1,2,4-triazol-3-one?
potassium;hydride;5-nitro-1,2,4-triazol-3-one has a molecular weight of 168.15 g/mol, XLogP of -2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;5-nitro-1,2,4-triazol-3-one is sourced from PubChem (CID 173468136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).