<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4326</id>
  <title>T3D4272</title>
  <common-name>5-Aminoimidazole-4-carboxamide</common-name>
  <description>5-Aminoimidazole-4-carboxamide is an imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases.</description>
  <cas>360-97-4</cas>
  <pubchem-id>9679</pubchem-id>
  <chemical-formula>C4H6N4O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:11:29Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:18:05Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>AIC</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C04051</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>2030</chebi-id>
  <biocyc-id>CPD-3762</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB06143</drugbank-id>
  <pdb-id>5AC</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>NC(=O)C1=C(N)N=CN1</moldb-smiles>
  <moldb-formula>C4H6N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)</moldb-inchi>
  <moldb-inchikey>DVNYTAVYBRSTGK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">126.1166</moldb-average-mass>
  <moldb-mono-mass type="decimal">126.054160834</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>-1.1</logp>
  <hmdb-id>HMDB03192</hmdb-id>
  <chembl-id>CHEMBL1610</chembl-id>
  <chemspider-id>9298</chemspider-id>
  <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>CHEM003232</chemdb-id>
  <dsstox-id>DTXSID8059891</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-amino-1H-imidazole-5-carboxamide</iupac>
  <moldb-polar-surface-area>97.79</moldb-polar-surface-area>
  <moldb-refractivity>32.9826</moldb-refractivity>
  <moldb-polarizability>11.371935576487058</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.742147882572919</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>5.257447776856129</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>-1.16</moldb-alogps-logp>
  <moldb-alogps-logs>-0.01</moldb-alogps-logs>
  <moldb-alogps-solubility>1.24e+02 g/l</moldb-alogps-solubility>
</compound>
