[(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine

C12H15BrFN5 — CID 105335616

IUPAC[(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFN5/c1-2-5-19-11(7-16-18-19)12(17-15)8-3-4-9(13)10(14)6-8/h3-4,6-7,12,17H,2,5,15H2,1H3
InChIKeyBCLZPADJZJONLR-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.14
Rot. Bonds5

About [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine

[(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine (PubChem CID 105335616) has the molecular formula C12H15BrFN5 and a molecular weight of 328.19 g/mol. Its IUPAC name is [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
PubChem CID105335616
Molecular FormulaC12H15BrFN5
Molecular Weight328.19 g/mol
Exact Mass327.05
IUPAC Name[(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
SMILESCCCn1nncc1C(NN)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFN5/c1-2-5-19-11(7-16-18-19)12(17-15)8-3-4-9(13)10(14)6-8/h3-4,6-7,12,17H,2,5,15H2,1H3
InChIKeyBCLZPADJZJONLR-UHFFFAOYSA-N
XLogP2.14
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.14
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

[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105192382
[(3-bromo-5-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105238620
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
[(6-chloro-3-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105253024
[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105252709
[(2,6-dimethyl-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107504955
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038815
N-[(4-chloro-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 107995221
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201663
1-(2,5-dibromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038962
N-[(4-bromophenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114687035
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine (CID 105335616) is [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine is CCCn1nncc1C(NN)c1ccc(Br)c(F)c1.
What is the InChIKey of [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
The InChIKey is BCLZPADJZJONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN5/c1-2-5-19-11(7-16-18-19)12(17-15)8-3-4-9(13)10(14)6-8/h3-4,6-7,12,17H,2,5,15H2,1H3.
What are the key properties of [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine?
[(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine has a molecular weight of 328.19 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105335616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).