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

C11H14N6OS — CID 114397196

IUPAC2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESNc1snnc1Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H14N6OS/c12-11-9(14-15-19-11)7-17-10(18)5-8(6-13-17)16-3-1-2-4-16/h5-6H,1-4,7,12H2
InChIKeyDLTSLMASEXMKSE-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.33
Rot. Bonds3

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

2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 114397196) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID114397196
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESNc1snnc1Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H14N6OS/c12-11-9(14-15-19-11)7-17-10(18)5-8(6-13-17)16-3-1-2-4-16/h5-6H,1-4,7,12H2
InChIKeyDLTSLMASEXMKSE-UHFFFAOYSA-N
XLogP0.33
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 114397196) is 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one is Nc1snnc1Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is DLTSLMASEXMKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c12-11-9(14-15-19-11)7-17-10(18)5-8(6-13-17)16-3-1-2-4-16/h5-6H,1-4,7,12H2.
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 278.34 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).