[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine

C8H14BrF2N5O — CID 106466287

IUPAC[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
SMILESCn1nnc(Br)c1C(CCOCC(F)F)NN
InChIInChI=1S/C8H14BrF2N5O/c1-16-7(8(9)14-15-16)5(13-12)2-3-17-4-6(10)11/h5-6,13H,2-4,12H2,1H3
InChIKeyWYEUEFOXTHDLGH-UHFFFAOYSA-N
MW314.13 g/mol
LogP0.75
Rot. Bonds7

About [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine

[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine (PubChem CID 106466287) has the molecular formula C8H14BrF2N5O and a molecular weight of 314.13 g/mol. Its IUPAC name is [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
PubChem CID106466287
Molecular FormulaC8H14BrF2N5O
Molecular Weight314.13 g/mol
Exact Mass313.03
IUPAC Name[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
SMILESCn1nnc(Br)c1C(CCOCC(F)F)NN
InChIInChI=1S/C8H14BrF2N5O/c1-16-7(8(9)14-15-16)5(13-12)2-3-17-4-6(10)11/h5-6,13H,2-4,12H2,1H3
InChIKeyWYEUEFOXTHDLGH-UHFFFAOYSA-N
XLogP0.75
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106466600
3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 106466087
[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 106466500
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 106465858
1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
CID 106464917
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 106462207
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106463119
[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 106466584
[1-(5-bromo-3-methyltriazol-4-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 106466425
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxyethyl]propan-1-amine
CID 106462218
1-(5-bromo-3-methyltriazol-4-yl)-3-methoxypropan-1-ol
CID 106461801

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine (CID 106466287) is [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine is Cn1nnc(Br)c1C(CCOCC(F)F)NN.
What is the InChIKey of [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine?
The InChIKey is WYEUEFOXTHDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2N5O/c1-16-7(8(9)14-15-16)5(13-12)2-3-17-4-6(10)11/h5-6,13H,2-4,12H2,1H3.
What are the key properties of [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine?
[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine has a molecular weight of 314.13 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 106466287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).