2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide

C6H9F3N4O2 — CID 162354221

IUPAC2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide
SMILESO=C1CNCCN1NNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N4O2/c7-6(8,9)5(15)11-12-13-2-1-10-3-4(13)14/h10,12H,1-3H2,(H,11,15)
InChIKeyXAWZWFAKXRYIHU-UHFFFAOYSA-N
MW226.16 g/mol
LogP-1.48
Rot. Bonds2

About 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide

2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide (PubChem CID 162354221) has the molecular formula C6H9F3N4O2 and a molecular weight of 226.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide
PubChem CID162354221
Molecular FormulaC6H9F3N4O2
Molecular Weight226.16 g/mol
Exact Mass226.07
IUPAC Name2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide
SMILESO=C1CNCCN1NNC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3N4O2/c7-6(8,9)5(15)11-12-13-2-1-10-3-4(13)14/h10,12H,1-3H2,(H,11,15)
InChIKeyXAWZWFAKXRYIHU-UHFFFAOYSA-N
XLogP-1.48
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide?
The IUPAC name of 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide (CID 162354221) is 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide.
What is the SMILES notation for 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide?
The canonical SMILES for 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide is O=C1CNCCN1NNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide?
The InChIKey is XAWZWFAKXRYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4O2/c7-6(8,9)5(15)11-12-13-2-1-10-3-4(13)14/h10,12H,1-3H2,(H,11,15).
What are the key properties of 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide?
2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide has a molecular weight of 226.16 g/mol, XLogP of -1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-(2-oxopiperazin-1-yl)acetohydrazide is sourced from PubChem (CID 162354221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).