2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide

C12H15ClF3N5O — CID 2773897

IUPAC2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide
SMILESNNC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H15ClF3N5O/c13-9-5-8(12(14,15)16)6-18-11(9)21-3-1-20(2-4-21)7-10(22)19-17/h5-6H,1-4,7,17H2,(H,19,22)
InChIKeyLQAVGONZGDEMMY-UHFFFAOYSA-N
MW337.73 g/mol
LogP0.87
Rot. Bonds3

About 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide

2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide (PubChem CID 2773897) has the molecular formula C12H15ClF3N5O and a molecular weight of 337.73 g/mol. Its IUPAC name is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide
PubChem CID2773897
Molecular FormulaC12H15ClF3N5O
Molecular Weight337.73 g/mol
Exact Mass337.09
IUPAC Name2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide
SMILESNNC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C12H15ClF3N5O/c13-9-5-8(12(14,15)16)6-18-11(9)21-3-1-20(2-4-21)7-10(22)19-17/h5-6H,1-4,7,17H2,(H,19,22)
InChIKeyLQAVGONZGDEMMY-UHFFFAOYSA-N
XLogP0.87
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide?
The IUPAC name of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide (CID 2773897) is 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide is NNC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide?
The InChIKey is LQAVGONZGDEMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N5O/c13-9-5-8(12(14,15)16)6-18-11(9)21-3-1-20(2-4-21)7-10(22)19-17/h5-6H,1-4,7,17H2,(H,19,22).
What are the key properties of 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide?
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide has a molecular weight of 337.73 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetohydrazide is sourced from PubChem (CID 2773897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).