[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine

C13H13BrN6 — CID 106466743

IUPAC[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1ccnc2ccccc12
InChIInChI=1S/C13H13BrN6/c1-20-12(13(14)18-19-20)11(17-15)9-6-7-16-10-5-3-2-4-8(9)10/h2-7,11,17H,15H2,1H3
InChIKeyHNNHKZBLHWIRAC-UHFFFAOYSA-N
MW333.19 g/mol
LogP1.68
Rot. Bonds3

About [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine

[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine (PubChem CID 106466743) has the molecular formula C13H13BrN6 and a molecular weight of 333.19 g/mol. Its IUPAC name is [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine
PubChem CID106466743
Molecular FormulaC13H13BrN6
Molecular Weight333.19 g/mol
Exact Mass332.04
IUPAC Name[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine
SMILESCn1nnc(Br)c1C(NN)c1ccnc2ccccc12
InChIInChI=1S/C13H13BrN6/c1-20-12(13(14)18-19-20)11(17-15)9-6-7-16-10-5-3-2-4-8(9)10/h2-7,11,17H,15H2,1H3
InChIKeyHNNHKZBLHWIRAC-UHFFFAOYSA-N
XLogP1.68
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 51.68
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

[(5-bromo-3-methyltriazol-4-yl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 106466380
[(3,5-dimethylphenyl)-quinolin-4-ylmethyl]hydrazine
CID 105286670
[(5-bromo-3-methyltriazol-4-yl)-(4-iodophenyl)methyl]hydrazine
CID 106466615
[(5-bromo-3-methyltriazol-4-yl)-(1-methylimidazol-4-yl)methyl]hydrazine
CID 107979517
1-(5-bromo-3-methyltriazol-4-yl)ethylhydrazine
CID 106465831
[(4-fluorophenyl)-quinolin-4-ylmethyl]hydrazine
CID 105284020
[(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 106466390
[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734
[2-(2-methyltetrazol-5-yl)-1-quinolin-4-ylethyl]hydrazine
CID 107066899
[(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-methoxy-4-methylphenyl)methyl]hydrazine
CID 106793911

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine?
The IUPAC name of [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine (CID 106466743) is [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine?
The canonical SMILES for [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine is Cn1nnc(Br)c1C(NN)c1ccnc2ccccc12.
What is the InChIKey of [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine?
The InChIKey is HNNHKZBLHWIRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6/c1-20-12(13(14)18-19-20)11(17-15)9-6-7-16-10-5-3-2-4-8(9)10/h2-7,11,17H,15H2,1H3.
What are the key properties of [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine?
[(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine has a molecular weight of 333.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-methyltriazol-4-yl)-quinolin-4-ylmethyl]hydrazine is sourced from PubChem (CID 106466743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).