[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine

C13H13BrN6 — CID 105257271

IUPAC[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)c1nc2ccccc2cc1Br
InChIInChI=1S/C13H13BrN6/c1-20-11(7-16-19-20)13(18-15)12-9(14)6-8-4-2-3-5-10(8)17-12/h2-7,13,18H,15H2,1H3
InChIKeyWHEXXDAZHSLQRU-UHFFFAOYSA-N
MW333.19 g/mol
LogP1.68
Rot. Bonds3

About [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine

[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 105257271) has the molecular formula C13H13BrN6 and a molecular weight of 333.19 g/mol. Its IUPAC name is [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID105257271
Molecular FormulaC13H13BrN6
Molecular Weight333.19 g/mol
Exact Mass332.04
IUPAC Name[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)c1nc2ccccc2cc1Br
InChIInChI=1S/C13H13BrN6/c1-20-11(7-16-19-20)13(18-15)12-9(14)6-8-4-2-3-5-10(8)17-12/h2-7,13,18H,15H2,1H3
InChIKeyWHEXXDAZHSLQRU-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

(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688819
1-(4-bromo-1-methylpyrazol-5-yl)-1-(3-bromoquinolin-2-yl)-N-methylmethanamine
CID 114659165
[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337670
[1-(3-bromoquinolin-2-yl)-2-methylpropyl]hydrazine
CID 105257290
[(3-methyl-2-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105209169
[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337546
[1-(3-bromoquinolin-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105257346
[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337692
[(2-ethylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337685
[(2-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337508
[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
[(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337530

Frequently Asked Questions

What is the IUPAC name of [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine (CID 105257271) is [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine is Cn1nncc1C(NN)c1nc2ccccc2cc1Br.
What is the InChIKey of [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is WHEXXDAZHSLQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6/c1-20-11(7-16-19-20)13(18-15)12-9(14)6-8-4-2-3-5-10(8)17-12/h2-7,13,18H,15H2,1H3.
What are the key properties of [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine?
[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]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 [(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105257271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).