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

C11H14N6O2S — CID 114397242

IUPAC2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESNc1snnc1Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H14N6O2S/c12-11-9(14-15-20-11)7-17-10(18)5-8(6-13-17)16-1-3-19-4-2-16/h5-6H,1-4,7,12H2
InChIKeyFCVCCHAFAQGMTE-UHFFFAOYSA-N
MW294.34 g/mol
LogP-0.44
Rot. Bonds3

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

2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114397242) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID114397242
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESNc1snnc1Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H14N6O2S/c12-11-9(14-15-20-11)7-17-10(18)5-8(6-13-17)16-1-3-19-4-2-16/h5-6H,1-4,7,12H2
InChIKeyFCVCCHAFAQGMTE-UHFFFAOYSA-N
XLogP-0.44
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one (CID 114397242) is 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one is Nc1snnc1Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is FCVCCHAFAQGMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c12-11-9(14-15-20-11)7-17-10(18)5-8(6-13-17)16-1-3-19-4-2-16/h5-6H,1-4,7,12H2.
What are the key properties of 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one?
2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 294.34 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114397242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).