<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">102484</id>
  <title nil="true"/>
  <common-name>4,5-Diamino-1,2-dihydro-3-oxopyrazole sulphate</common-name>
  <description>4,5-Diamino-1,2-dihydro-3-oxopyrazole sulphate belongs to the organic sulfuric acids, a subclass of organic sulfuric acids and derivatives within the organic compounds. This compound has the chemical formula C3H6N4O and an average molecular weight of 212.18 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>259751</pubchem-id>
  <chemical-formula>C3H6N4O</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T09:33:42Z</created-at>
  <updated-at type="dateTime">2026-04-05T09:33:42Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OS(O)(=O)=O.NC1=C(N)C(=O)NN1</moldb-smiles>
  <moldb-formula>C3H6N4O</moldb-formula>
  <moldb-inchi>InChI=1/C3H6N4O.H2O4S/c4-1-2(5)6-7-3(1)8;1-5(2,3)4/h4H2,(H4,5,6,7,8);(H2,1,2,3,4)</moldb-inchi>
  <moldb-inchikey>PQWHYMIYFPATGG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">212.18</moldb-average-mass>
  <moldb-mono-mass type="decimal">114.0541608</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM098377</chemdb-id>
  <dsstox-id>DTXSID90242891</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00065947</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Organic sulfuric acids and derivatives</klass>
  <subklass>Organic sulfuric acids</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0111221</sync-id>
  <structure-inchikey>PQWHYMIYFPATGG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100200000020000000120000000000000000000000000000000000000000000000000000000000008000000000000020200000000000000000000002000000000000010000000000000000002000000000000000000000000000000000000000000000000000000000200000000000001000080000000000000000000000000000000000000000000000080000000000000000004000080000200000000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000800000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`������� ������`�������(�������(�������h�������@(������@(�������h�������@(�������(������@8�������@8����������������������� ��h��� �	h�	
(�	�h���h���h�B�������	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:40:27Z</structure-indexed-at>
</compound>
