<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">93105</id>
  <title nil="true"/>
  <common-name>4,5-Diamino-2,4-dihydro-3-oxopyrazole sulphate</common-name>
  <description>4,5-Diamino-2,4-dihydro-3-oxopyrazole sulphate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the formula C3H6N4O and an average molecular weight of 212.18 g/mol.</description>
  <cas>45514-28-1</cas>
  <pubchem-id>3015656</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">2026-04-05T01:57:25Z</created-at>
  <updated-at type="dateTime">2026-04-05T01:57:25Z</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.NC1C(=N)NN=C1O</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/h1H,4H2,(H2,5,6)(H,7,8);(H2,1,2,3,4)</moldb-inchi>
  <moldb-inchikey>WPNDHEHMBKGTIE-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>CHEM088998</chemdb-id>
  <dsstox-id>DTXSID20954930</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00054631</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>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0155366</sync-id>
  <structure-inchikey>WPNDHEHMBKGTIE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000000000000000000000000000000000000004000000000000020000002000000000000000000000000000000000000000000000000000008000000100000020000000000000000000000000000000000000010000000000000000002000010000008000000000000000000000100000000004000000000000200000000000001000000000000000002000000000000000000000000000000000080000000000000000000000080000000000000000000000000000002004000000000000000000100000001000000000000000000204000000800000000000000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>940000500142028080008000000838000008000000050000002420408000000c4410001100b00000040001000080000006280001008c10410000443080a24000841104000010040000d0100000e3000000000400400100b240000420000001000c2000028048020020041600d0300260206284100901600411380020001000020040000c04400000080002400808000810040012440014020300080000000084414300000010400000004840803c201002c000008001880018000010004002000000008404000012008002000041028000000000000048200c01020408000100001008100088008c000000010010200006100890204000280000000050060002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���`������� ������`�������(�������(�������`�������`�������(�������h��������h��������(�������(�������h�����������������������������(��	 	
 
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  <structure-indexed-at type="dateTime">2026-09-19T04:34:57Z</structure-indexed-at>
</compound>
