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

C9H10ClN5OS — CID 114395523

IUPAC2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1
InChIInChI=1S/C9H10ClN5OS/c1-14(2)6-3-8(16)15(11-4-6)5-7-9(10)17-13-12-7/h3-4H,5H2,1-2H3
InChIKeyCTOMSUCEAKIBGN-UHFFFAOYSA-N
MW271.73 g/mol
LogP0.86
Rot. Bonds3

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

2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 114395523) has the molecular formula C9H10ClN5OS and a molecular weight of 271.73 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID114395523
Molecular FormulaC9H10ClN5OS
Molecular Weight271.73 g/mol
Exact Mass271.03
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1
InChIInChI=1S/C9H10ClN5OS/c1-14(2)6-3-8(16)15(11-4-6)5-7-9(10)17-13-12-7/h3-4H,5H2,1-2H3
InChIKeyCTOMSUCEAKIBGN-UHFFFAOYSA-N
XLogP0.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one (CID 114395523) is 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(Cc2nnsc2Cl)c(=O)c1.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is CTOMSUCEAKIBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5OS/c1-14(2)6-3-8(16)15(11-4-6)5-7-9(10)17-13-12-7/h3-4H,5H2,1-2H3.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one?
2-[(5-chlorothiadiazol-4-yl)methyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 271.73 g/mol, XLogP of 0.86, 3 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-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114395523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).