2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C9H12N6O2S — CID 63271567

IUPAC2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(Cc2nnsc2NN)[nH]c1=O
InChIInChI=1S/C9H12N6O2S/c1-4-5(2)9(17)15(13-7(4)16)3-6-8(11-10)18-14-12-6/h11H,3,10H2,1-2H3,(H,13,16)
InChIKeyZOOIMFPUHMSLHA-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.66
Rot. Bonds3

About 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 63271567) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID63271567
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n(Cc2nnsc2NN)[nH]c1=O
InChIInChI=1S/C9H12N6O2S/c1-4-5(2)9(17)15(13-7(4)16)3-6-8(11-10)18-14-12-6/h11H,3,10H2,1-2H3,(H,13,16)
InChIKeyZOOIMFPUHMSLHA-UHFFFAOYSA-N
XLogP-0.66
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 63271567) is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n(Cc2nnsc2NN)[nH]c1=O.
What is the InChIKey of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is ZOOIMFPUHMSLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-4-5(2)9(17)15(13-7(4)16)3-6-8(11-10)18-14-12-6/h11H,3,10H2,1-2H3,(H,13,16).
What are the key properties of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 268.30 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 63271567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).