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

C12H16BrN5O — CID 106465858

IUPAC[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2c(Br)nnn2C)cc1
InChIInChI=1S/C12H16BrN5O/c1-18-11(12(13)16-17-18)10(15-14)7-8-3-5-9(19-2)6-4-8/h3-6,10,15H,7,14H2,1-2H3
InChIKeyGJBNJVJHHMYBEG-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.33
Rot. Bonds5

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

[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine (PubChem CID 106465858) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is [1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
PubChem CID106465858
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2c(Br)nnn2C)cc1
InChIInChI=1S/C12H16BrN5O/c1-18-11(12(13)16-17-18)10(15-14)7-8-3-5-9(19-2)6-4-8/h3-6,10,15H,7,14H2,1-2H3
InChIKeyGJBNJVJHHMYBEG-UHFFFAOYSA-N
XLogP1.33
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.33
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-pyridin-4-ylpropyl]hydrazine
CID 106466500
[1-(5-bromo-3-methyltriazol-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106466600
[1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 105205541
[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203934
(5-bromo-3-methyltriazol-4-yl)-(4-methoxythiophen-2-yl)methanamine
CID 106464848
[1-(5-bromo-3-methyltriazol-4-yl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 106466287
[1-(4-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105190728
3-[1-hydrazinyl-2-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105205558
[1-(5-bromo-3-methyltriazol-4-yl)-4-thiophen-2-ylbutyl]hydrazine
CID 106466584
[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466623
[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793911
[1-(4-methoxyphenyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107065873

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine (CID 106465858) is [1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine is COc1ccc(CC(NN)c2c(Br)nnn2C)cc1.
What is the InChIKey of [1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine?
The InChIKey is GJBNJVJHHMYBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-18-11(12(13)16-17-18)10(15-14)7-8-3-5-9(19-2)6-4-8/h3-6,10,15H,7,14H2,1-2H3.
What are the key properties of [1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine?
[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine has a molecular weight of 326.20 g/mol, XLogP of 1.33, 5 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-(4-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 106465858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).