<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">295892</id>
  <title nil="true"/>
  <common-name>1-(3-phenyl-2h-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3059459</pubchem-id>
  <chemical-formula>C15H14N4O</chemical-formula>
  <weight>266.3</weight>
  <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">2026-08-28T11:56:51Z</created-at>
  <updated-at type="dateTime">2026-08-28T11:56:51Z</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>CCC(=O)N1C2=C(C=NC=C2)N=C(N1)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C15H14N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H14N4O/c1-2-14(20)19-13-8-9-16-10-12(13)17-15(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)</moldb-inchi>
  <moldb-inchikey>RNFKQUORQLXOQG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">266.1167611</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3</logp>
  <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>CHEM291785</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>1-(3-phenyl-2h-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one</iupac>
  <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>Organoheterocyclic compounds</superklass>
  <klass>Triazines</klass>
  <subklass>1,2,4-triazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0247312</sync-id>
  <structure-inchikey>RNFKQUORQLXOQG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000008800000000000000000000000000000000000000000000000000002000000004000000000002004000000000000800000100000000000000000000000000000000000000000008020000000000000000000008200000000000000010000000000000000000000200000010100000000000002001040000000000840000000800000200000000000800000000100800000000000000000000100000001000000000000080000000000000000002000000000000000000100004000000020003000000000000000000000000000000000000200000000000000000000000000002040000000000400000000000000000400000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������(������@(������@(������@h�������@(������@h�������@h��������(�������(�������h�������@(������@h�������@h�������@h�������@h�������@h���������������(��� �� ��h���h���h��	h�	
h��� ��(�� �� ��h���h���h���h���h���
�h���h�B�������������	
�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:07:17Z</structure-indexed-at>
</compound>
