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

C15H23N7OS — CID 126913423

IUPAC2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1nc(CN2CCN(CCn3ncccc3=O)CC2)ns1
InChIInChI=1S/C15H23N7OS/c1-19(2)15-17-13(18-24-15)12-21-8-6-20(7-9-21)10-11-22-14(23)4-3-5-16-22/h3-5H,6-12H2,1-2H3
InChIKeyUIIGEFYPQHGKQU-UHFFFAOYSA-N
MW349.46 g/mol
LogP-0.02
Rot. Bonds6

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

2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913423) has the molecular formula C15H23N7OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913423
Molecular FormulaC15H23N7OS
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC Name2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCN(C)c1nc(CN2CCN(CCn3ncccc3=O)CC2)ns1
InChIInChI=1S/C15H23N7OS/c1-19(2)15-17-13(18-24-15)12-21-8-6-20(7-9-21)10-11-22-14(23)4-3-5-16-22/h3-5H,6-12H2,1-2H3
InChIKeyUIIGEFYPQHGKQU-UHFFFAOYSA-N
XLogP-0.02
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913423) is 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one is CN(C)c1nc(CN2CCN(CCn3ncccc3=O)CC2)ns1.
What is the InChIKey of 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is UIIGEFYPQHGKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7OS/c1-19(2)15-17-13(18-24-15)12-21-8-6-20(7-9-21)10-11-22-14(23)4-3-5-16-22/h3-5H,6-12H2,1-2H3.
What are the key properties of 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 349.46 g/mol, XLogP of -0.02, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).