3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one

C9H16N6OS — CID 80613683

IUPAC3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1Cc1nnc(NN)s1
InChIInChI=1S/C9H16N6OS/c1-2-6-8(16)11-3-4-15(6)5-7-13-14-9(12-10)17-7/h6H,2-5,10H2,1H3,(H,11,16)(H,12,14)
InChIKeyQPLFZAGLCSAESW-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.47
Rot. Bonds4

About 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one

3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one (PubChem CID 80613683) has the molecular formula C9H16N6OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
PubChem CID80613683
Molecular FormulaC9H16N6OS
Molecular Weight256.33 g/mol
Exact Mass256.11
IUPAC Name3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1Cc1nnc(NN)s1
InChIInChI=1S/C9H16N6OS/c1-2-6-8(16)11-3-4-15(6)5-7-13-14-9(12-10)17-7/h6H,2-5,10H2,1H3,(H,11,16)(H,12,14)
InChIKeyQPLFZAGLCSAESW-UHFFFAOYSA-N
XLogP-0.47
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one (CID 80613683) is 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one is CCC1C(=O)NCCN1Cc1nnc(NN)s1.
What is the InChIKey of 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
The InChIKey is QPLFZAGLCSAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6OS/c1-2-6-8(16)11-3-4-15(6)5-7-13-14-9(12-10)17-7/h6H,2-5,10H2,1H3,(H,11,16)(H,12,14).
What are the key properties of 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one?
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one has a molecular weight of 256.33 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 80613683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).