3h-1,2,4-triazol-3-one,1,2-dihydro-5-nitro-

1,2-Dihydro-5-nitro-3H-1,2,4-triazol-3-one
3-Nitro-4,5-dihydro-1H-1,2,4-triazol-5-one
3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-nitro-
5-Nitro-2,4-dihydro-1,2,4-triazol-3-one
5-Nitro-2,4-dihydro-3H-1,2,4-triazol-3-one
5-Oxo-3-nitro-1,2,4-triazole
NTO (explosive)
Δ2-1,2,4-Triazolin-5-one, 3-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QJTIRVUEVSKJTK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C2H2N4O3/c7-2-3-1(4-5-2)6(8)9/h(H2,3,4,5,7)
IUPAC name chemrof:IUPAC_name	1,2-Dihydro-5-nitro-3H-1,2,4-triazol-3-one
Molecular formula chemrof:molecular_formula	C2H2N4O3
Molecular mass chemrof:molecular_mass	130.063
Monoisotopic mass chemrof:monoisotopic_mass	130.01269
SMILES string chemrof:smiles_string	O=c1nc([N+](=O)[O-])[nH][nH]1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=932-64-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.012.050	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.276.724	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80883616	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=119860	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/43WPQ5QCE3	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0257428	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J298.516K	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J942.015K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/135406868	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#0490	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q906444	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Nitrotriazolone	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
4e52e8b3-bb83-4558-8765-35b4426fc5d1	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
915d1f53-dfff-4791-b638-1d2d778abe8d	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
9da509f9-62cc-4f32-b842-0700d1c6e2de	Environmental → Air → Indoor	EF 3.1	kg	2
62b55b28-ac42-49fd-b870-c403cbe8e0da	Environmental → Air → Long-term	EF 3.1	kg	0
e8861da3-4a2e-4c78-9a60-266bd93a9e40	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
2389d75c-14f6-42d1-b01a-a5aa67590639	Environmental → Air → Unknown	EF 3.1	kg	2
7eb1a1d7-561a-4d7e-b002-2122d847fe16	Environmental → Ground → Agricultural	EF 3.1	kg	2
c1f4c82b-12cd-4b71-ae17-be2d6606386f	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
261673c7-fe6b-4a43-8932-c48248393d43	Environmental → Ground → Unknown	EF 3.1	kg	2
fa973ab8-4a94-4401-a741-c6ceca98fde2	Environmental → Water → Long-term	EF 3.1	kg	0
05703708-7268-431c-b922-8879e71e229d	Environmental → Water → Ocean	EF 3.1	kg	2
a4d11c0d-af77-4b01-a909-87d97699575a	Environmental → Water → Surface water	EF 3.1	kg	2
237be20d-26b4-485d-94b6-d9e864863934	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "932-64-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=932-64-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=932-64-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "213-254-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=213-254-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

3h-1,2,4-triazol-3-one,1,2-dihydro-5-nitro-

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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