[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine

C11H14BrN5 — CID 105337546

IUPAC[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCc1ccc(Br)cc1C(NN)c1cnnn1C
InChIInChI=1S/C11H14BrN5/c1-7-3-4-8(12)5-9(7)11(15-13)10-6-14-16-17(10)2/h3-6,11,15H,13H2,1-2H3
InChIKeyQVZDBPVHPATVIR-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.44
Rot. Bonds3

About [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine

[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 105337546) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID105337546
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCc1ccc(Br)cc1C(NN)c1cnnn1C
InChIInChI=1S/C11H14BrN5/c1-7-3-4-8(12)5-9(7)11(15-13)10-6-14-16-17(10)2/h3-6,11,15H,13H2,1-2H3
InChIKeyQVZDBPVHPATVIR-UHFFFAOYSA-N
XLogP1.44
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337670
[(4-methylthiophen-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105251742
[(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337530
[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337692
[(3-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105209169
[(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 106794066
[(5-bromo-2-methylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286710
[(2-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337508
[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
[2-(4-bromophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105195498
[(2-ethylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337685
[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105257271

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (CID 105337546) is [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is Cc1ccc(Br)cc1C(NN)c1cnnn1C.
What is the InChIKey of [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is QVZDBPVHPATVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-7-3-4-8(12)5-9(7)11(15-13)10-6-14-16-17(10)2/h3-6,11,15H,13H2,1-2H3.
What are the key properties of [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine has a molecular weight of 296.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105337546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).