[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine

C8H12BrN7 — CID 107979517

IUPAC[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cnc(C(NN)c2c(Br)nnn2C)c1
InChIInChI=1S/C8H12BrN7/c1-15-3-5(11-4-15)6(12-10)7-8(9)13-14-16(7)2/h3-4,6,12H,10H2,1-2H3
InChIKeyZZPDFDNJPQNFLQ-UHFFFAOYSA-N
MW286.14 g/mol
LogP-0.14
Rot. Bonds3

About [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine (PubChem CID 107979517) has the molecular formula C8H12BrN7 and a molecular weight of 286.14 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
PubChem CID107979517
Molecular FormulaC8H12BrN7
Molecular Weight286.14 g/mol
Exact Mass285.03
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
SMILESCn1cnc(C(NN)c2c(Br)nnn2C)c1
InChIInChI=1S/C8H12BrN7/c1-15-3-5(11-4-15)6(12-10)7-8(9)13-14-16(7)2/h3-4,6,12H,10H2,1-2H3
InChIKeyZZPDFDNJPQNFLQ-UHFFFAOYSA-N
XLogP-0.14
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)ethylhydrazine
CID 106465831
[(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)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 106466681
[(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
1-(1-methylimidazol-4-yl)ethylhydrazine
CID 107978855
[(1-methylimidazol-4-yl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 107979173
[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine
CID 106466743
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 106466629
[(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

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine (CID 107979517) is [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine is Cn1cnc(C(NN)c2c(Br)nnn2C)c1.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine?
The InChIKey is ZZPDFDNJPQNFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN7/c1-15-3-5(11-4-15)6(12-10)7-8(9)13-14-16(7)2/h3-4,6,12H,10H2,1-2H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine has a molecular weight of 286.14 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 107979517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).