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

C11H13BrClN5 — CID 107948316

IUPAC[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCn1ncnc1CC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClN5/c1-18-11(15-6-16-18)5-10(17-14)7-2-8(12)4-9(13)3-7/h2-4,6,10,17H,5,14H2,1H3
InChIKeyAWXAHDTZMDFSIT-UHFFFAOYSA-N
MW330.62 g/mol
LogP1.98
Rot. Bonds4

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

[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 107948316) has the molecular formula C11H13BrClN5 and a molecular weight of 330.62 g/mol. Its IUPAC name is [1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID107948316
Molecular FormulaC11H13BrClN5
Molecular Weight330.62 g/mol
Exact Mass329.00
IUPAC Name[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCn1ncnc1CC(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClN5/c1-18-11(15-6-16-18)5-10(17-14)7-2-8(12)4-9(13)3-7/h2-4,6,10,17H,5,14H2,1H3
InChIKeyAWXAHDTZMDFSIT-UHFFFAOYSA-N
XLogP1.98
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.62
LogP ≤ 51.98
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)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107946146
[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-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 107948328
[1-(3-bromo-5-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 107948485
[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105197069
[1-(3-bromo-5-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 107948303
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316604
4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
CID 105316424
[1-(3-bromo-5-chlorophenyl)-3-methylbutyl]hydrazine
CID 107947997
[2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196128
[1-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105215350
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 114330344

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 107948316) is [1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is Cn1ncnc1CC(NN)c1cc(Cl)cc(Br)c1.
What is the InChIKey of [1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is AWXAHDTZMDFSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN5/c1-18-11(15-6-16-18)5-10(17-14)7-2-8(12)4-9(13)3-7/h2-4,6,10,17H,5,14H2,1H3.
What are the key properties of [1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(3-bromo-5-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 330.62 g/mol, XLogP of 1.98, 4 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-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 107948316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).