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

C10H12ClN5OS — CID 114395567

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1
InChIInChI=1S/C10H12ClN5OS/c1-3-15(2)7-4-9(17)16(12-5-7)6-8-10(11)18-14-13-8/h4-5H,3,6H2,1-2H3
InChIKeyCUXSYHUOEJMGRW-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.25
Rot. Bonds4

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

2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114395567) has the molecular formula C10H12ClN5OS and a molecular weight of 285.76 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114395567
Molecular FormulaC10H12ClN5OS
Molecular Weight285.76 g/mol
Exact Mass285.05
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1
InChIInChI=1S/C10H12ClN5OS/c1-3-15(2)7-4-9(17)16(12-5-7)6-8-10(11)18-14-13-8/h4-5H,3,6H2,1-2H3
InChIKeyCUXSYHUOEJMGRW-UHFFFAOYSA-N
XLogP1.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-Dichloro-2-[(5-chlorothiadiazol-4-yl)methyl]pyridazin-3-one
CID 47118120
1-[(5-Chlorothiadiazol-4-yl)methyl]-6-methylpyridin-2-one
CID 60876232
3-[(5-Chlorothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 61225132
2-[(5-Chlorothiadiazol-4-yl)methyl]pyridazin-3-one
CID 62849424
2-[(5-Chlorothiadiazol-4-yl)methyl]-6-methylpyridazin-3-one
CID 62923892
3-[(5-Chlorothiadiazol-4-yl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769012
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-methylpyridazin-3-one
CID 106548649
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 113579509
2-[(5-Aminothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 113579684
2-[(5-Aminothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 113579685
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one
CID 114395523
2-[(5-Chlorothiadiazol-4-yl)methyl]-5-morpholin-4-ylpyridazin-3-one
CID 114395537

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114395567) is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is CUXSYHUOEJMGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5OS/c1-3-15(2)7-4-9(17)16(12-5-7)6-8-10(11)18-14-13-8/h4-5H,3,6H2,1-2H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 285.76 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114395567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).