2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C11H14ClN5O2S — CID 114395558

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1
InChIInChI=1S/C11H14ClN5O2S/c1-16(3-4-19-2)8-5-10(18)17(13-6-8)7-9-11(12)20-15-14-9/h5-6H,3-4,7H2,1-2H3
InChIKeyNVTXRARHDZCFIO-UHFFFAOYSA-N
MW315.79 g/mol
LogP0.88
Rot. Bonds6

About 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114395558) has the molecular formula C11H14ClN5O2S and a molecular weight of 315.79 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114395558
Molecular FormulaC11H14ClN5O2S
Molecular Weight315.79 g/mol
Exact Mass315.06
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1
InChIInChI=1S/C11H14ClN5O2S/c1-16(3-4-19-2)8-5-10(18)17(13-6-8)7-9-11(12)20-15-14-9/h5-6H,3-4,7H2,1-2H3
InChIKeyNVTXRARHDZCFIO-UHFFFAOYSA-N
XLogP0.88
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114395558) is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is NVTXRARHDZCFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2S/c1-16(3-4-19-2)8-5-10(18)17(13-6-8)7-9-11(12)20-15-14-9/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 315.79 g/mol, XLogP of 0.88, 6 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-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114395558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).