2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

C20H23N7OS — CID 126915902

IUPAC2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C20H23N7OS/c28-18-4-3-17(15-5-7-21-8-6-15)24-27(18)14-11-25-9-12-26(13-10-25)20-23-22-19(29-20)16-1-2-16/h3-8,16H,1-2,9-14H2
InChIKeyVXHQXEDVMMQDKK-UHFFFAOYSA-N
MW409.52 g/mol
LogP1.86
Rot. Bonds6

About 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126915902) has the molecular formula C20H23N7OS and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126915902
Molecular FormulaC20H23N7OS
Molecular Weight409.52 g/mol
Exact Mass409.17
IUPAC Name2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2nnc(C3CC3)s2)CC1
InChIInChI=1S/C20H23N7OS/c28-18-4-3-17(15-5-7-21-8-6-15)24-27(18)14-11-25-9-12-26(13-10-25)20-23-22-19(29-20)16-1-2-16/h3-8,16H,1-2,9-14H2
InChIKeyVXHQXEDVMMQDKK-UHFFFAOYSA-N
XLogP1.86
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915851
3-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126915845
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
CID 126915800
6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915847
2-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126916016
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126916015
2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915803
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
6-tert-butyl-2-[2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914140

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (CID 126915902) is 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CCN1CCN(c2nnc(C3CC3)s2)CC1.
What is the InChIKey of 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is VXHQXEDVMMQDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7OS/c28-18-4-3-17(15-5-7-21-8-6-15)24-27(18)14-11-25-9-12-26(13-10-25)20-23-22-19(29-20)16-1-2-16/h3-8,16H,1-2,9-14H2.
What are the key properties of 2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 409.52 g/mol, XLogP of 1.86, 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-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126915902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).