[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine

C9H18BrN5O — CID 106466600

IUPAC[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
SMILESCn1nnc(Br)c1C(COC(C)(C)C)NN
InChIInChI=1S/C9H18BrN5O/c1-9(2,3)16-5-6(12-11)7-8(10)13-14-15(7)4/h6,12H,5,11H2,1-4H3
InChIKeyLUAHOKJDJFEBQM-UHFFFAOYSA-N
MW292.18 g/mol
LogP0.90
Rot. Bonds4

About [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine

[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine (PubChem CID 106466600) has the molecular formula C9H18BrN5O and a molecular weight of 292.18 g/mol. Its IUPAC name is [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
PubChem CID106466600
Molecular FormulaC9H18BrN5O
Molecular Weight292.18 g/mol
Exact Mass291.07
IUPAC Name[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
SMILESCn1nnc(Br)c1C(COC(C)(C)C)NN
InChIInChI=1S/C9H18BrN5O/c1-9(2,3)16-5-6(12-11)7-8(10)13-14-15(7)4/h6,12H,5,11H2,1-4H3
InChIKeyLUAHOKJDJFEBQM-UHFFFAOYSA-N
XLogP0.90
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 106466287
3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 106466087
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)-N-ethyl-2-propan-2-yloxyethanamine
CID 106465026
[1-(5-bromo-3-methyltriazol-4-yl)-2-methoxy-3,3-dimethylbutyl]hydrazine
CID 106466227
1-(5-bromo-3-methyltriazol-4-yl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 106462385
[1-(5-bromo-3-methyltriazol-4-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 106466500
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106463119
N-[1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 106464746
[2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105307544
1-(5-bromo-3-methyltriazol-4-yl)-N-ethylpropan-1-amine
CID 106462146

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine (CID 106466600) is [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine is Cn1nnc(Br)c1C(COC(C)(C)C)NN.
What is the InChIKey of [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
The InChIKey is LUAHOKJDJFEBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrN5O/c1-9(2,3)16-5-6(12-11)7-8(10)13-14-15(7)4/h6,12H,5,11H2,1-4H3.
What are the key properties of [1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine?
[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine has a molecular weight of 292.18 g/mol, XLogP of 0.90, 4 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)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine is sourced from PubChem (CID 106466600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).