[1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine

C12H15BrClN5O — CID 106466368

IUPAC[1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine
SMILESCC(Oc1cccc(Cl)c1)C(NN)c1c(Br)nnn1C
InChIInChI=1S/C12H15BrClN5O/c1-7(20-9-5-3-4-8(14)6-9)10(16-15)11-12(13)17-18-19(11)2/h3-7,10,16H,15H2,1-2H3
InChIKeyXKLYLFAJKLOOOP-UHFFFAOYSA-N
MW360.64 g/mol
LogP2.20
Rot. Bonds5

About [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine

[1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine (PubChem CID 106466368) has the molecular formula C12H15BrClN5O and a molecular weight of 360.64 g/mol. Its IUPAC name is [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine
PubChem CID106466368
Molecular FormulaC12H15BrClN5O
Molecular Weight360.64 g/mol
Exact Mass359.01
IUPAC Name[1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine
SMILESCC(Oc1cccc(Cl)c1)C(NN)c1c(Br)nnn1C
InChIInChI=1S/C12H15BrClN5O/c1-7(20-9-5-3-4-8(14)6-9)10(16-15)11-12(13)17-18-19(11)2/h3-7,10,16H,15H2,1-2H3
InChIKeyXKLYLFAJKLOOOP-UHFFFAOYSA-N
XLogP2.20
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 52.20
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

1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 106465641
[2-(3-chlorophenoxy)-1-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 105288679
[1-(3-bromo-2-fluorophenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 106649782
[2-(3-chlorophenoxy)-1-(2-methoxyphenyl)propyl]hydrazine
CID 105285682
[2-(3-chlorophenoxy)-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105306951
[2-(3-chlorophenoxy)-1-(2,3-difluorophenyl)propyl]hydrazine
CID 105309301
[2-(3-chlorophenoxy)-1-thiophen-3-ylpropyl]hydrazine
CID 105311964
[2-(3-chlorophenoxy)-1-(2,4-difluorophenyl)propyl]hydrazine
CID 105303167
[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 107562651
[(5-bromo-3-methyltriazol-4-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 106466629
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-chlorophenoxy)propan-1-ol
CID 105132444
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105182888

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine?
The IUPAC name of [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine (CID 106466368) is [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine.
What is the SMILES notation for [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine?
The canonical SMILES for [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine is CC(Oc1cccc(Cl)c1)C(NN)c1c(Br)nnn1C.
What is the InChIKey of [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine?
The InChIKey is XKLYLFAJKLOOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN5O/c1-7(20-9-5-3-4-8(14)6-9)10(16-15)11-12(13)17-18-19(11)2/h3-7,10,16H,15H2,1-2H3.
What are the key properties of [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine?
[1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine has a molecular weight of 360.64 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methyltriazol-4-yl)-2-(3-chlorophenoxy)propyl]hydrazine is sourced from PubChem (CID 106466368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).