Catalog No.:AA00HEGE

1184174-04-6 | 3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole

Name: Name:3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole
Brand: AABLOCKS
SKU: AA00HEGE
Rating: 90 (10 reviews)

Pack Size

Purity

Availability

Price(USD)

Quantity

100mg

95%

in stock

$119.00 $83.00

- +

250mg

95%

in stock

$203.00 $142.00

- +

500mg

95%

in stock

$302.00 $212.00

- +

95%

in stock

$454.00 $318.00

- +

Technical Information
Properties
Downstream Synthesis Route
Literature
Request for Quotation
Download SDS

Technical Information

Catalog Number:

AA00HEGE

Chemical Name:

3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole

CAS Number:

1184174-04-6

Molecular Formula:

C9H8BrN3

Molecular Weight:

238.0839

MDL Number:

MFCD16987729

SMILES:

Brc1ccc(cc1)c1ncn(n1)C

Properties

Computed Properties

Complexity:

168

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Downstream Synthesis Route

1184174-04-6

1184173-73-6

[1]CurrentPatentAssignee:MERCK&COINC-WO2016/100147,2016,A1

[2]CurrentPatentAssignee:MERCK&COINC-WO2016/100152,2016,A1

[3]CurrentPatentAssignee:MERCK&COINC-WO2017/40362,2017,A1

[4]Boga,SobhanaBabu;Deng,Yongqi;Zhu,Liang;Nan,Yang;Cooper,AlanB.;Shipps,GeraldW.;Doll,Ronald;Shih,Neng-Yang;Zhu,Hugh;Sun,Robert;Wang,Tong;Paliwal,Sunil;Tsui,Hon-Chung;Gao,Xiaolei;Yao,Xin;Desai,Jagdish;Wang,James;Alhassan,AbdulBasit;Kelly,Joseph;Patel,Mehul;Muppalla,Kiran;Gudipati,Subrahmanyam;Zhang,Li-Kang;Buevich,Alexei;Hesk,David;Carr,Donna;Dayananth,Priya;Black,Stuart;Mei,Hong;Cox,Kathleen;Sherborne,Bradley;Hruza,AlanW.;Xiao,Li;Jin,Weihong;Long,Brian;Liu,Gongjie;Taylor,StaceyA.;Kirschmeier,Paul;Windsor,WilliamT.;Bishop,Robert;Samatar,AhmedA.[ACSMedicinalChemistryLetters,2018,vol.9,#7,p.761-767]

1184174-04-6

109-07-9

3-methyl-1-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)piperazine

[1]Patent:WO2018/67512,2018,A1.Locationinpatent:Paragraph0223

Literature

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Tags:1184174-04-6 Molecular Formula|1184174-04-6 MDL|1184174-04-6 SMILES|1184174-04-6 3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole

Catalog No.: AA00HEGE

1184174-04-6 | 3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole

Pack Size： 100mg

Purity： 95%

in stock

$119.00 $83.00

Pack Size： 250mg

Purity： 95%

in stock

$203.00 $142.00

Pack Size： 500mg

Purity： 95%

in stock

$302.00 $212.00

Pack Size： 1g

Purity： 95%

in stock

$454.00 $318.00

Quantity

- +

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Technical Information

Catalog Number: AA00HEGE

Chemical Name: 3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole

CAS Number: 1184174-04-6

Molecular Formula: C9H8BrN3

Molecular Weight: 238.0839

MDL Number: MFCD16987729

SMILES: Brc1ccc(cc1)c1ncn(n1)C

Properties

Complexity: 168

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 13

Hydrogen Bond Acceptor Count: 2

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.4

Downstream Synthesis Route

1184174-04-6

1184173-73-6

[1]CurrentPatentAssignee:MERCK&COINC-WO2016/100147,2016,A1

[2]CurrentPatentAssignee:MERCK&COINC-WO2016/100152,2016,A1

[3]CurrentPatentAssignee:MERCK&COINC-WO2017/40362,2017,A1

1184174-04-6

109-07-9

3-methyl-1-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)piperazine

[1]Patent:WO2018/67512,2018,A1.Locationinpatent:Paragraph0223

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AA00HF99 | MFCD16996122

1208081-36-0

2,5-Dichloropyridine-3-sulfonyl chloride

AA00HFPB | MFCD15142815

1214331-03-9

4-Bromo-3-(trifluoromethyl)benzylamine HCl

AA00HG26 | MFCD13185410

1221439-83-3

rel-(3a-alfa,5alfa,6a-alfa)-t-butyl 5-aminohexahydrocyclopenta[c]pyrrole-2(1h)-carboxylate

AA00HGKA | MFCD23726570

1228665-99-3

Methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate

AA00HH0P | MFCD16628218

1236366-12-3

2-(2-Methylpropyl)pyrazole-3-carbaldehyde

AA00HHAR | MFCD21609707

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AA00HHS4 | MFCD14586990

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AA00HI14 | MFCD11976217

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