2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C14H20N6OS — CID 126923231

IUPAC2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCN(C)c1nc(CN2CCCC2Cn2ncccc2=O)ns1
InChIInChI=1S/C14H20N6OS/c1-18(2)14-16-12(17-22-14)10-19-8-4-5-11(19)9-20-13(21)6-3-7-15-20/h3,6-7,11H,4-5,8-10H2,1-2H3
InChIKeyMBAYMBOCSVDBLJ-UHFFFAOYSA-N
MW320.42 g/mol
LogP0.83
Rot. Bonds5

About 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923231) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923231
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCN(C)c1nc(CN2CCCC2Cn2ncccc2=O)ns1
InChIInChI=1S/C14H20N6OS/c1-18(2)14-16-12(17-22-14)10-19-8-4-5-11(19)9-20-13(21)6-3-7-15-20/h3,6-7,11H,4-5,8-10H2,1-2H3
InChIKeyMBAYMBOCSVDBLJ-UHFFFAOYSA-N
XLogP0.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923231) is 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is CN(C)c1nc(CN2CCCC2Cn2ncccc2=O)ns1.
What is the InChIKey of 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is MBAYMBOCSVDBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-18(2)14-16-12(17-22-14)10-19-8-4-5-11(19)9-20-13(21)6-3-7-15-20/h3,6-7,11H,4-5,8-10H2,1-2H3.
What are the key properties of 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 320.42 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).