[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C13H17BrFN5 — CID 105319144

IUPAC[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1cccc(F)c1Br
InChIInChI=1S/C13H17BrFN5/c1-2-6-20-12(17-8-18-20)7-11(19-16)9-4-3-5-10(15)13(9)14/h3-5,8,11,19H,2,6-7,16H2,1H3
InChIKeyBFMVEGMWAMZREX-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.34
Rot. Bonds6

About [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105319144) has the molecular formula C13H17BrFN5 and a molecular weight of 342.22 g/mol. Its IUPAC name is [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105319144
Molecular FormulaC13H17BrFN5
Molecular Weight342.22 g/mol
Exact Mass341.07
IUPAC Name[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1cccc(F)c1Br
InChIInChI=1S/C13H17BrFN5/c1-2-6-20-12(17-8-18-20)7-11(19-16)9-4-3-5-10(15)13(9)14/h3-5,8,11,19H,2,6-7,16H2,1H3
InChIKeyBFMVEGMWAMZREX-UHFFFAOYSA-N
XLogP2.34
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-fluoro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105257926
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153
[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319210
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
1-(2,3-difluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003143
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183
[1-(4-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319203
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114906400
[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319130
1-(2-bromo-3-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115814180
[1-(2-bromo-3-fluorophenyl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287879
[1-(3-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204839

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105319144) is [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCCn1ncnc1CC(NN)c1cccc(F)c1Br.
What is the InChIKey of [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is BFMVEGMWAMZREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN5/c1-2-6-20-12(17-8-18-20)7-11(19-16)9-4-3-5-10(15)13(9)14/h3-5,8,11,19H,2,6-7,16H2,1H3.
What are the key properties of [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 342.22 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105319144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).