1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen

C9H7BrFN5 — CID 141178204

IUPAC1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen
SMILESCc1ncnn1-c1cc(F)ccc1Br.N#N
InChIInChI=1S/C9H7BrFN3.N2/c1-6-12-5-13-14(6)9-4-7(11)2-3-8(9)10;1-2/h2-5H,1H3;
InChIKeyZDUYYBICJLISBX-UHFFFAOYSA-N
MW284.09 g/mol
LogP2.51
Rot. Bonds1

About 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen

1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen (PubChem CID 141178204) has the molecular formula C9H7BrFN5 and a molecular weight of 284.09 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen
PubChem CID141178204
Molecular FormulaC9H7BrFN5
Molecular Weight284.09 g/mol
Exact Mass282.99
IUPAC Name1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen
SMILESCc1ncnn1-c1cc(F)ccc1Br.N#N
InChIInChI=1S/C9H7BrFN3.N2/c1-6-12-5-13-14(6)9-4-7(11)2-3-8(9)10;1-2/h2-5H,1H3;
InChIKeyZDUYYBICJLISBX-UHFFFAOYSA-N
XLogP2.51
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.09
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;copper(1+);ethane;4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)benzonitrile;[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methanamine;cyanide
CID 162199394
1-(2-bromo-5-fluorophenyl)-5-methylpyrazole
CID 172608601
[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methylhydrazine
CID 71069724
1-(2-bromo-5-fluorophenyl)-3-methylazetidine
CID 107641053
1-(2-bromo-5-fluorophenyl)azepane
CID 84713262
N-[[3-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107628574
1-(2-fluoro-4-nitrophenyl)-5-methyl-1,2,4-triazole
CID 58414461
1-(2-bromo-5-fluorophenyl)-5-propan-2-yltriazole-4-carboxylic acid
CID 107626220
(2-bromo-5-fluorophenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744592
2-(2-bromo-5-fluorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 107640958
2-bromo-5-[1-(2-bromo-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107638824
1-(2-bromo-5-fluorophenyl)-5-propyltriazol-4-amine
CID 107627744

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen (CID 141178204) is 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen is Cc1ncnn1-c1cc(F)ccc1Br.N#N.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen?
The InChIKey is ZDUYYBICJLISBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN3.N2/c1-6-12-5-13-14(6)9-4-7(11)2-3-8(9)10;1-2/h2-5H,1H3;.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen?
1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen has a molecular weight of 284.09 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;molecular nitrogen is sourced from PubChem (CID 141178204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).