[1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine

C14H20BrN5O — CID 105317380

IUPAC[1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(C(Cc2ncnn2C(C)C)NN)c1
InChIInChI=1S/C14H20BrN5O/c1-9(2)20-14(17-8-18-20)7-13(19-16)11-6-10(21-3)4-5-12(11)15/h4-6,8-9,13,19H,7,16H2,1-3H3
InChIKeyGADPJDXFXWGWAY-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.38
Rot. Bonds6

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

[1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105317380) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105317380
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name[1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)c(C(Cc2ncnn2C(C)C)NN)c1
InChIInChI=1S/C14H20BrN5O/c1-9(2)20-14(17-8-18-20)7-13(19-16)11-6-10(21-3)4-5-12(11)15/h4-6,8-9,13,19H,7,16H2,1-3H3
InChIKeyGADPJDXFXWGWAY-UHFFFAOYSA-N
XLogP2.38
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.38
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-(2-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105191233
[1-(2-bromo-5-methoxyphenyl)-2-methoxyethyl]hydrazine
CID 105321682
[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211662
1-(2-bromo-5-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105162566
[1-(5-chlorofuran-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106694528
1-(2-bromo-5-fluorophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 115813911
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999719
[2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203769
[1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105342752
[1-(2-ethylfuran-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 114104828
[1-(4-iodophenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105317416

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105317380) is [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is COc1ccc(Br)c(C(Cc2ncnn2C(C)C)NN)c1.
What is the InChIKey of [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is GADPJDXFXWGWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-9(2)20-14(17-8-18-20)7-13(19-16)11-6-10(21-3)4-5-12(11)15/h4-6,8-9,13,19H,7,16H2,1-3H3.
What are the key properties of [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 354.25 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-5-methoxyphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105317380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).