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

C15H20N6OS — CID 126913497

IUPAC2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H20N6OS/c22-13-2-1-5-16-21(13)11-8-19-6-9-20(10-7-19)15-17-14(18-23-15)12-3-4-12/h1-2,5,12H,3-4,6-11H2
InChIKeyWMKMHFTZIVWVJD-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.79
Rot. Bonds5

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

2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913497) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913497
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCN(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C15H20N6OS/c22-13-2-1-5-16-21(13)11-8-19-6-9-20(10-7-19)15-17-14(18-23-15)12-3-4-12/h1-2,5,12H,3-4,6-11H2
InChIKeyWMKMHFTZIVWVJD-UHFFFAOYSA-N
XLogP0.79
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913497) is 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is O=c1cccnn1CCN1CCN(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is WMKMHFTZIVWVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c22-13-2-1-5-16-21(13)11-8-19-6-9-20(10-7-19)15-17-14(18-23-15)12-3-4-12/h1-2,5,12H,3-4,6-11H2.
What are the key properties of 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 332.43 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).