[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine

C14H19BrClN5 — CID 107948328

IUPAC[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
SMILESCC(C)Cn1ncnc1CC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H19BrClN5/c1-9(2)7-21-14(18-8-19-21)6-13(20-17)10-3-11(15)5-12(16)4-10/h3-5,8-9,13,20H,6-7,17H2,1-2H3
InChIKeyDYQFRRQGCQMSLI-UHFFFAOYSA-N
MW372.70 g/mol
LogP3.10
Rot. Bonds6

About [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine

[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine (PubChem CID 107948328) has the molecular formula C14H19BrClN5 and a molecular weight of 372.70 g/mol. Its IUPAC name is [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
PubChem CID107948328
Molecular FormulaC14H19BrClN5
Molecular Weight372.70 g/mol
Exact Mass371.05
IUPAC Name[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
SMILESCC(C)Cn1ncnc1CC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H19BrClN5/c1-9(2)7-21-14(18-8-19-21)6-13(20-17)10-3-11(15)5-12(16)4-10/h3-5,8-9,13,20H,6-7,17H2,1-2H3
InChIKeyDYQFRRQGCQMSLI-UHFFFAOYSA-N
XLogP3.10
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 53.10
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

[1-(3-bromo-5-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948336
[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948316
[1-(2,6-dimethyl-4-pyridinyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107504998
[1-(5-bromo-4-methylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317711
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107946146
[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
CID 107947997
[1-(3-bromo-5-chlorophenyl)-4-methylpentyl]hydrazine
CID 107948109
1-(5-bromo-2-chlorophenyl)-N-methyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105000124
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105317661
[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 107948485
[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317685

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine (CID 107948328) is [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine is CC(C)Cn1ncnc1CC(NN)c1cc(Cl)cc(Br)c1.
What is the InChIKey of [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
The InChIKey is DYQFRRQGCQMSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN5/c1-9(2)7-21-14(18-8-19-21)6-13(20-17)10-3-11(15)5-12(16)4-10/h3-5,8-9,13,20H,6-7,17H2,1-2H3.
What are the key properties of [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine?
[1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine has a molecular weight of 372.70 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine is sourced from PubChem (CID 107948328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).