[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine

C10H11BrIN5 — CID 106466615

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1ccc(I)cc1
InChIInChI=1S/C10H11BrIN5/c1-17-9(10(11)15-16-17)8(14-13)6-2-4-7(12)5-3-6/h2-5,8,14H,13H2,1H3
InChIKeyGQMHZDOOTMXZTE-UHFFFAOYSA-N
MW408.04 g/mol
LogP1.73
Rot. Bonds3

About [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine (PubChem CID 106466615) has the molecular formula C10H11BrIN5 and a molecular weight of 408.04 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
PubChem CID106466615
Molecular FormulaC10H11BrIN5
Molecular Weight408.04 g/mol
Exact Mass406.92
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1ccc(I)cc1
InChIInChI=1S/C10H11BrIN5/c1-17-9(10(11)15-16-17)8(14-13)6-2-4-7(12)5-3-6/h2-5,8,14H,13H2,1H3
InChIKeyGQMHZDOOTMXZTE-UHFFFAOYSA-N
XLogP1.73
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.04
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3-bromo-4-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466170
[(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 106466710
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466623
[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 106466158
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 106466629
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 106466707
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 106466621
[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 106466681
[(5-bromo-3-methyltriazol-4-yl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 106466380
[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 107979517

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine (CID 106466615) is [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine is Cn1nnc(Br)c1C(NN)c1ccc(I)cc1.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine?
The InChIKey is GQMHZDOOTMXZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrIN5/c1-17-9(10(11)15-16-17)8(14-13)6-2-4-7(12)5-3-6/h2-5,8,14H,13H2,1H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine has a molecular weight of 408.04 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine is sourced from PubChem (CID 106466615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).