2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one

C11H15N7OS — CID 114397339

IUPAC2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESNNc1snnc1Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H15N7OS/c12-14-11-9(15-16-20-11)7-18-10(19)5-8(6-13-18)17-3-1-2-4-17/h5-6,14H,1-4,7,12H2
InChIKeyVWGBTBFTJYIEPW-UHFFFAOYSA-N
MW293.36 g/mol
LogP0.03
Rot. Bonds4

About 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114397339) has the molecular formula C11H15N7OS and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114397339
Molecular FormulaC11H15N7OS
Molecular Weight293.36 g/mol
Exact Mass293.11
IUPAC Name2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESNNc1snnc1Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H15N7OS/c12-14-11-9(15-16-20-11)7-18-10(19)5-8(6-13-18)17-3-1-2-4-17/h5-6,14H,1-4,7,12H2
InChIKeyVWGBTBFTJYIEPW-UHFFFAOYSA-N
XLogP0.03
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114397339) is 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one is NNc1snnc1Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is VWGBTBFTJYIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS/c12-14-11-9(15-16-20-11)7-18-10(19)5-8(6-13-18)17-3-1-2-4-17/h5-6,14H,1-4,7,12H2.
What are the key properties of 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 293.36 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydrazinylthiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).