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

C8H14N6OS — CID 80613588

IUPAC4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1Cc1nnc(NN)s1
InChIInChI=1S/C8H14N6OS/c1-5-7(15)10-2-3-14(5)4-6-12-13-8(11-9)16-6/h5H,2-4,9H2,1H3,(H,10,15)(H,11,13)
InChIKeyWPLSRPWAXMFPFX-UHFFFAOYSA-N
MW242.31 g/mol
LogP-0.86
Rot. Bonds3

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

4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one (PubChem CID 80613588) has the molecular formula C8H14N6OS and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one
PubChem CID80613588
Molecular FormulaC8H14N6OS
Molecular Weight242.31 g/mol
Exact Mass242.09
IUPAC Name4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1Cc1nnc(NN)s1
InChIInChI=1S/C8H14N6OS/c1-5-7(15)10-2-3-14(5)4-6-12-13-8(11-9)16-6/h5H,2-4,9H2,1H3,(H,10,15)(H,11,13)
InChIKeyWPLSRPWAXMFPFX-UHFFFAOYSA-N
XLogP-0.86
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 5-0.86
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 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one (CID 80613588) is 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1Cc1nnc(NN)s1.
What is the InChIKey of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one?
The InChIKey is WPLSRPWAXMFPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6OS/c1-5-7(15)10-2-3-14(5)4-6-12-13-8(11-9)16-6/h5H,2-4,9H2,1H3,(H,10,15)(H,11,13).
What are the key properties of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one?
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one has a molecular weight of 242.31 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 80613588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).