[5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine

C12H17ClF3N5 — CID 62968440

IUPAC[5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(CN2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H17ClF3N5/c13-9-1-2-11(19-17)18-10(9)7-20-3-5-21(6-4-20)8-12(14,15)16/h1-2H,3-8,17H2,(H,18,19)
InChIKeyNSOYURXEYBQYKZ-UHFFFAOYSA-N
MW323.75 g/mol
LogP1.70
Rot. Bonds4

About [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine

[5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine (PubChem CID 62968440) has the molecular formula C12H17ClF3N5 and a molecular weight of 323.75 g/mol. Its IUPAC name is [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
PubChem CID62968440
Molecular FormulaC12H17ClF3N5
Molecular Weight323.75 g/mol
Exact Mass323.11
IUPAC Name[5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(CN2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H17ClF3N5/c13-9-1-2-11(19-17)18-10(9)7-20-3-5-21(6-4-20)8-12(14,15)16/h1-2H,3-8,17H2,(H,18,19)
InChIKeyNSOYURXEYBQYKZ-UHFFFAOYSA-N
XLogP1.70
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 51.70
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 [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine (CID 62968440) is [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(CN2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine?
The InChIKey is NSOYURXEYBQYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClF3N5/c13-9-1-2-11(19-17)18-10(9)7-20-3-5-21(6-4-20)8-12(14,15)16/h1-2H,3-8,17H2,(H,18,19).
What are the key properties of [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine?
[5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine has a molecular weight of 323.75 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62968440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).