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2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl-3h-1,2,4-triazol-3-one

UUID 17062a96-9281-4f31-9ca4-45bc70c81547
Flow Object IDfo-1ff0d4271840a464
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 106461-41-0
EC Numbers 434-820-9
prefLabel
Language Value Provenance
en 2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl-3h-1,2,4-triazol-3-one
altLabel ⓘ
Language Value Provenance
en 1-(<em>sec</em>-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1<em>H</em>-1,2,4-triazol-5(4<em>H</em>)-one
en 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3<em>H</em>-1,2,4-triazol-3-one
en 2-Butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
en 3<em>H</em>-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-
en T 1330
References
Shared Properties
Predicate Value
InChIKey FFAQILVGBAELHN-QGZVFWFLSA-N, FFAQILVGBAELHN-UHFFFAOYSA-N, YPLJQZHBAUOPME-UHFFFAOYSA-N
InChI InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3, InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3/t17-/m1/s1, InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)21-7-5-4-6-20(21)25-14-12-24(13-15-25)18-8-10-19(28)11-9-18/h4-11,16-17,28H,3,12-15H2,1-2H3
IUPAC name 2-[(2R)-butan-2-yl]-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1,2,4-triazol-3-one, 2-[(2R)-butan-2-yl]-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one, 2-butan-2-yl-4-[2-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1,2,4-triazol-3-one, 2-butan-2-yl-4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one, 2-butan-2-yl-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-1,2,4-triazol-3-one, 2-butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one, 4-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one, 4-[2-[4-(4-hydroxyphenyl)piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one, 4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-[(1R)-1-methylpropyl]-1,2,4-triazol-3-one, 4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one, 4-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]-2-[(1R)-1-methylpropyl]-1,2,4-triazol-3-one, 4-[4-[4-(4-hydroxyphenyl)piperazino]phenyl]-2-sec-butyl-1,2,4-triazol-3-one
Molecular formula C22H27N5O2
SMILES CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O, CCC(C)N1C(=O)N(C=N1)C2=CC=CC=C2N3CCN(CC3)C4=CC=C(C=C4)O, CC[C@@H](C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 17062a96-9281-4f31-9ca4-45bc70c81547 2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl-3h-1,2,4-triazol-3-one

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl-3h-1,2,4-triazol-3-one Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl-3h-1,2,4-triazol-3-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=106461-41-0; added Common Chemistry CAS names as altLabel: 1-(<em>sec</em>-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1<em>H</em>-1,2,4-triazol-5(4<em>H</em>)-one, 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3<em>H</em>-1,2,4-triazol-3-one, 2-Butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one, 3<em>H</em>-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-, T 1330; object_uuid=fo-1ff0d4271840a464
cas_match_labels 1 — consensus_match group_key=2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl-3h-1,2,4-triazol-3-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'106461-41-0': []}; assigned CAS labels from group consensus; object_uuid=fo-1ff0d4271840a464: {'106461-41-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-(<em>sec</em>-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1<em>H</em>-1,2,4-triazol-5(4<em>H</em>)-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106461-41-0', 'https://commonchemistry.cas.org/detail?cas_rn=106461-41-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3<em>H</em>-1,2,4-triazol-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106461-41-0', 'https://commonchemistry.cas.org/detail?cas_rn=106461-41-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106461-41-0', 'https://commonchemistry.cas.org/detail?cas_rn=106461-41-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3<em>H</em>-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106461-41-0', 'https://commonchemistry.cas.org/detail?cas_rn=106461-41-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'T 1330', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106461-41-0', 'https://commonchemistry.cas.org/detail?cas_rn=106461-41-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl-3h-1,2,4-triazol-3-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=106461-41-0; added Common Chemistry CAS names as altLabel: 1-(<em>sec</em>-Butyl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1<em>H</em>-1,2,4-triazol-5(4<em>H</em>)-one, 2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3<em>H</em>-1,2,4-triazol-3-one, 2-Butan-2-yl-4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one, 3<em>H</em>-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-, T 1330; object_uuid=fo-1ff0d4271840a464
cas_match_labels None {'106461-41-0': 'exactMatch'} group_key=2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl-3h-1,2,4-triazol-3-one||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'106461-41-0': []}; assigned CAS labels from group consensus; object_uuid=fo-1ff0d4271840a464: {'106461-41-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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