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

C2ClKN4O7 — CID 161354921

IUPACpotassium;5-nitro-1,2,4-triazol-3-one;perchlorate
SMILESO=C1N=NC([N+](=O)[O-])=N1.[K+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C2N4O3.ClHO4.K/c7-2-3-1(4-5-2)6(8)9;2-1(3,4)5;/h;(H,2,3,4,5);/q;;+1/p-1
InChIKeyBFPACULRTNASOE-UHFFFAOYSA-M
MW266.59 g/mol
LogP-7.55
Rot. Bonds

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

potassium;5-nitro-1,2,4-triazol-3-one;perchlorate (PubChem CID 161354921) has the molecular formula C2ClKN4O7 and a molecular weight of 266.59 g/mol. Its IUPAC name is potassium;5-nitro-1,2,4-triazol-3-one;perchlorate.

Molecular Properties

Compound Namepotassium;5-nitro-1,2,4-triazol-3-one;perchlorate
PubChem CID161354921
Molecular FormulaC2ClKN4O7
Molecular Weight266.59 g/mol
Exact Mass265.91
IUPAC Namepotassium;5-nitro-1,2,4-triazol-3-one;perchlorate
SMILESO=C1N=NC([N+](=O)[O-])=N1.[K+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C2N4O3.ClHO4.K/c7-2-3-1(4-5-2)6(8)9;2-1(3,4)5;/h;(H,2,3,4,5);/q;;+1/p-1
InChIKeyBFPACULRTNASOE-UHFFFAOYSA-M
XLogP-7.55
TPSA189.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.59
LogP ≤ 5-7.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;5-nitro-1,2,4-triazol-3-one;perchlorate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;5-nitro-1,2,4-triazol-3-one;perchlorate?
The IUPAC name of potassium;5-nitro-1,2,4-triazol-3-one;perchlorate (CID 161354921) is potassium;5-nitro-1,2,4-triazol-3-one;perchlorate.
What is the SMILES notation for potassium;5-nitro-1,2,4-triazol-3-one;perchlorate?
The canonical SMILES for potassium;5-nitro-1,2,4-triazol-3-one;perchlorate is O=C1N=NC([N+](=O)[O-])=N1.[K+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of potassium;5-nitro-1,2,4-triazol-3-one;perchlorate?
The InChIKey is BFPACULRTNASOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C2N4O3.ClHO4.K/c7-2-3-1(4-5-2)6(8)9;2-1(3,4)5;/h;(H,2,3,4,5);/q;;+1/p-1.
What are the key properties of potassium;5-nitro-1,2,4-triazol-3-one;perchlorate?
potassium;5-nitro-1,2,4-triazol-3-one;perchlorate has a molecular weight of 266.59 g/mol, XLogP of -7.55, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-nitro-1,2,4-triazol-3-one;perchlorate is sourced from PubChem (CID 161354921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).