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

C10H11BrFN5 — CID 105337670

IUPAC[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)c1cc(F)ccc1Br
InChIInChI=1S/C10H11BrFN5/c1-17-9(5-14-16-17)10(15-13)7-4-6(12)2-3-8(7)11/h2-5,10,15H,13H2,1H3
InChIKeyDWWMUHSJCASHBT-UHFFFAOYSA-N
MW300.14 g/mol
LogP1.27
Rot. Bonds3

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

[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (PubChem CID 105337670) has the molecular formula C10H11BrFN5 and a molecular weight of 300.14 g/mol. Its IUPAC name is [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
PubChem CID105337670
Molecular FormulaC10H11BrFN5
Molecular Weight300.14 g/mol
Exact Mass299.02
IUPAC Name[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
SMILESCn1nncc1C(NN)c1cc(F)ccc1Br
InChIInChI=1S/C10H11BrFN5/c1-17-9(5-14-16-17)10(15-13)7-4-6(12)2-3-8(7)11/h2-5,10,15H,13H2,1H3
InChIKeyDWWMUHSJCASHBT-UHFFFAOYSA-N
XLogP1.27
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.27
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)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288776
[(5-bromo-2-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337546
[(5-bromofuran-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337692
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
[(2-methoxy-4-methylphenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 106794066
N-[(2-bromo-5-methylphenyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043552
[(3-bromoquinolin-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105257271
[(2-methylpyrazol-3-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337508
[(3-methyltriazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196426
[(2-bromo-5-fluorophenyl)-(3,4-dimethylphenyl)methyl]hydrazine
CID 105300293
[(2,6-dimethyl-3-pyridinyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337530

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine (CID 105337670) is [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is Cn1nncc1C(NN)c1cc(F)ccc1Br.
What is the InChIKey of [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
The InChIKey is DWWMUHSJCASHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN5/c1-17-9(5-14-16-17)10(15-13)7-4-6(12)2-3-8(7)11/h2-5,10,15H,13H2,1H3.
What are the key properties of [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine?
[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine has a molecular weight of 300.14 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105337670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).