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

C14H19ClFN5 — CID 105216212

IUPAC[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCC(C)n1ncnc1CC(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C14H19ClFN5/c1-9(2)21-14(18-8-19-21)7-12(20-17)5-10-3-4-11(16)6-13(10)15/h3-4,6,8-9,12,20H,5,7,17H2,1-2H3
InChIKeyHXFPMXKGIDSFTB-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.27
Rot. Bonds6

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

[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105216212) has the molecular formula C14H19ClFN5 and a molecular weight of 311.79 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
PubChem CID105216212
Molecular FormulaC14H19ClFN5
Molecular Weight311.79 g/mol
Exact Mass311.13
IUPAC Name[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
SMILESCC(C)n1ncnc1CC(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C14H19ClFN5/c1-9(2)21-14(18-8-19-21)7-12(20-17)5-10-3-4-11(16)6-13(10)15/h3-4,6,8-9,12,20H,5,7,17H2,1-2H3
InChIKeyHXFPMXKGIDSFTB-UHFFFAOYSA-N
XLogP2.27
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.27
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-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]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-(2,4-dichlorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105200215
[1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105216085
[1-methylsulfanyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105214004
[1-(5-fluoro-2-methylphenyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211662
[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105295227
[1-(3-methylphenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105209011
[1-(2-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212582
[1-ethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235383
[1-(2-chloro-4-fluorophenyl)-3-(1-methyltriazol-4-yl)propan-2-yl]hydrazine
CID 107066047
[1-(2-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205338
[1-methylsulfonyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105317418
[1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 105216081

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine (CID 105216212) is [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is CC(C)n1ncnc1CC(Cc1ccc(F)cc1Cl)NN.
What is the InChIKey of [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is HXFPMXKGIDSFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN5/c1-9(2)21-14(18-8-19-21)7-12(20-17)5-10-3-4-11(16)6-13(10)15/h3-4,6,8-9,12,20H,5,7,17H2,1-2H3.
What are the key properties of [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine?
[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 311.79 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105216212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).