[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine

C12H18F3N5 — CID 62968441

IUPAC[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
SMILESNNc1ncccc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N5/c13-12(14,15)9-20-6-4-19(5-7-20)8-10-2-1-3-17-11(10)18-16/h1-3H,4-9,16H2,(H,17,18)
InChIKeyGUSRWOPDBYLAIF-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.05
Rot. Bonds4

About [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine

[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine (PubChem CID 62968441) has the molecular formula C12H18F3N5 and a molecular weight of 289.30 g/mol. Its IUPAC name is [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
PubChem CID62968441
Molecular FormulaC12H18F3N5
Molecular Weight289.30 g/mol
Exact Mass289.15
IUPAC Name[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
SMILESNNc1ncccc1CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N5/c13-12(14,15)9-20-6-4-19(5-7-20)8-10-2-1-3-17-11(10)18-16/h1-3H,4-9,16H2,(H,17,18)
InChIKeyGUSRWOPDBYLAIF-UHFFFAOYSA-N
XLogP1.05
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.05
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

2-[4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 62470861
[3-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]hydrazine
CID 62471914
1-[(2-hydrazinyl-3-pyridinyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62471319
[3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine
CID 62471212
[3-[(4-ethoxypiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62470788
4-[(2-hydrazinyl-3-pyridinyl)methyl]piperazine-2,6-dione
CID 66062201
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 171700809
[3-[(3-phenylpyrrolidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62472032
[3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-2-pyridinyl]hydrazine
CID 79175108
[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-pyridinyl]hydrazine
CID 62471565
2-[1-[(2-hydrazinyl-3-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107228801
[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-2-pyridinyl]hydrazine
CID 62470346

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine (CID 62968441) is [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine is NNc1ncccc1CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine?
The InChIKey is GUSRWOPDBYLAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c13-12(14,15)9-20-6-4-19(5-7-20)8-10-2-1-3-17-11(10)18-16/h1-3H,4-9,16H2,(H,17,18).
What are the key properties of [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine?
[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine has a molecular weight of 289.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62968441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).