[1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C12H15ClFN5 — CID 105217914

IUPAC[1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFN5/c1-2-19-12(16-7-17-19)6-11(18-15)9-4-3-8(13)5-10(9)14/h3-5,7,11,18H,2,6,15H2,1H3
InChIKeyIKUXAADTGCZYEZ-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.84
Rot. Bonds5

About [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105217914) has the molecular formula C12H15ClFN5 and a molecular weight of 283.74 g/mol. Its IUPAC name is [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105217914
Molecular FormulaC12H15ClFN5
Molecular Weight283.74 g/mol
Exact Mass283.10
IUPAC Name[1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)c1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFN5/c1-2-19-12(16-7-17-19)6-11(18-15)9-4-3-8(13)5-10(9)14/h3-5,7,11,18H,2,6,15H2,1H3
InChIKeyIKUXAADTGCZYEZ-UHFFFAOYSA-N
XLogP1.84
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.84
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'}

Analyze [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-chloro-2-iodophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 114030598
[1-(2,5-difluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105219430
1-(2,4-dichlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105002097
[1-(4-chloro-2-fluorophenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105217996
[1-(2,6-dimethyl-3-pyridinyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105318472
[1-(3-bromo-5-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 107948336
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 107993991
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105001989
[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319210
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196541
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105318542
1-(2-chloro-3-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105001821

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105217914) is [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCn1ncnc1CC(NN)c1ccc(Cl)cc1F.
What is the InChIKey of [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is IKUXAADTGCZYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN5/c1-2-19-12(16-7-17-19)6-11(18-15)9-4-3-8(13)5-10(9)14/h3-5,7,11,18H,2,6,15H2,1H3.
What are the key properties of [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 283.74 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105217914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).