1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione

C8H12N6O2S — CID 79941673

IUPAC1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2nnsc2NN)CC1=O
InChIInChI=1S/C8H12N6O2S/c1-13-3-7(16)14(4-6(13)15)2-5-8(10-9)17-12-11-5/h10H,2-4,9H2,1H3
InChIKeyQVMYRSUYFSLGAA-UHFFFAOYSA-N
MW256.29 g/mol
LogP-1.38
Rot. Bonds3

About 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione

1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione (PubChem CID 79941673) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione
PubChem CID79941673
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2nnsc2NN)CC1=O
InChIInChI=1S/C8H12N6O2S/c1-13-3-7(16)14(4-6(13)15)2-5-8(10-9)17-12-11-5/h10H,2-4,9H2,1H3
InChIKeyQVMYRSUYFSLGAA-UHFFFAOYSA-N
XLogP-1.38
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
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 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione (CID 79941673) is 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(Cc2nnsc2NN)CC1=O.
What is the InChIKey of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione?
The InChIKey is QVMYRSUYFSLGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-13-3-7(16)14(4-6(13)15)2-5-8(10-9)17-12-11-5/h10H,2-4,9H2,1H3.
What are the key properties of 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione?
1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione has a molecular weight of 256.29 g/mol, XLogP of -1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-hydrazinylthiadiazol-4-yl)methyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79941673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).