[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine

C13H18BrN5 — CID 106466681

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2c(Br)nnn2C)c(C)c1
InChIInChI=1S/C13H18BrN5/c1-7-5-8(2)10(9(3)6-7)11(16-15)12-13(14)17-18-19(12)4/h5-6,11,16H,15H2,1-4H3
InChIKeyMLYHZZHLVZRTQC-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.06
Rot. Bonds3

About [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine (PubChem CID 106466681) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
PubChem CID106466681
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)c2c(Br)nnn2C)c(C)c1
InChIInChI=1S/C13H18BrN5/c1-7-5-8(2)10(9(3)6-7)11(16-15)12-13(14)17-18-19(12)4/h5-6,11,16H,15H2,1-4H3
InChIKeyMLYHZZHLVZRTQC-UHFFFAOYSA-N
XLogP2.06
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.06
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

[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
[(5-bromo-3-methyltriazol-4-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 106466621
[(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 106466710
[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793911
[(5-bromo-3-methyltriazol-4-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 106466158
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
CID 106466615
[(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
[(3-bromo-4-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466170
[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105336638
[(3-bromo-4-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]hydrazine
CID 106466623

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine (CID 106466681) is [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine is Cc1cc(C)c(C(NN)c2c(Br)nnn2C)c(C)c1.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine?
The InChIKey is MLYHZZHLVZRTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-7-5-8(2)10(9(3)6-7)11(16-15)12-13(14)17-18-19(12)4/h5-6,11,16H,15H2,1-4H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine has a molecular weight of 324.23 g/mol, XLogP of 2.06, 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)-(2,4,6-trimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 106466681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).