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

C11H12ClN5O2S — CID 114395537

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1Cc1nnsc1Cl
InChIInChI=1S/C11H12ClN5O2S/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,1-4,7H2
InChIKeyJQUSLKZRPOXFFA-UHFFFAOYSA-N
MW313.77 g/mol
LogP0.63
Rot. Bonds3

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

2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114395537) has the molecular formula C11H12ClN5O2S and a molecular weight of 313.77 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID114395537
Molecular FormulaC11H12ClN5O2S
Molecular Weight313.77 g/mol
Exact Mass313.04
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESO=c1cc(N2CCOCC2)cnn1Cc1nnsc1Cl
InChIInChI=1S/C11H12ClN5O2S/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,1-4,7H2
InChIKeyJQUSLKZRPOXFFA-UHFFFAOYSA-N
XLogP0.63
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.77
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(5-Chlorothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 113579509
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114395523
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 114395546
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114395555
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114395558
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114395567
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-(diethylamino)pyridazin-3-one
CID 114395575
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395594
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114395616
2-[(5-Aminothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397242

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one (CID 114395537) is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one is O=c1cc(N2CCOCC2)cnn1Cc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is JQUSLKZRPOXFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O2S/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,1-4,7H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 313.77 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114395537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).