2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

C15H22N6O2S — CID 126913812

IUPAC2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCOCc1nsc(N2CCN(CCn3nc(C)ccc3=O)CC2)n1
InChIInChI=1S/C15H22N6O2S/c1-12-3-4-14(22)21(17-12)10-7-19-5-8-20(9-6-19)15-16-13(11-23-2)18-24-15/h3-4H,5-11H2,1-2H3
InChIKeyLOKSQFXNRDZEDO-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.37
Rot. Bonds6

About 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one

2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (PubChem CID 126913812) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
PubChem CID126913812
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
SMILESCOCc1nsc(N2CCN(CCn3nc(C)ccc3=O)CC2)n1
InChIInChI=1S/C15H22N6O2S/c1-12-3-4-14(22)21(17-12)10-7-19-5-8-20(9-6-19)15-16-13(11-23-2)18-24-15/h3-4H,5-11H2,1-2H3
InChIKeyLOKSQFXNRDZEDO-UHFFFAOYSA-N
XLogP0.37
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-6-methylpyridazin-3-one
CID 132302503
2-({1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 171690363
2-({1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-yl}methyl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 172006773
6-Tert-butyl-2-({1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126862575
2-({1-[3-(Methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}methyl)-6-methyl-2,3-dihydropyridazin-3-one
CID 126864177
6-Cyclopropyl-2-({1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126865497
6-Methyl-2-{2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126913684
2-[2-(4-{[5-(Dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperazin-1-yl)ethyl]-6-methyl-2,3-dihydropyridazin-3-one
CID 126913712
2-{2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126913816
2-(2-{4-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl}ethyl)-6-methyl-2,3-dihydropyridazin-3-one
CID 126913819
6-Tert-butyl-2-{2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl}-2,3-dihydropyridazin-3-one
CID 126914063
6-Tert-butyl-2-[2-(4-{[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl}piperazin-1-yl)ethyl]-2,3-dihydropyridazin-3-one
CID 126914088

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one (CID 126913812) is 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is COCc1nsc(N2CCN(CCn3nc(C)ccc3=O)CC2)n1.
What is the InChIKey of 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
The InChIKey is LOKSQFXNRDZEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-12-3-4-14(22)21(17-12)10-7-19-5-8-20(9-6-19)15-16-13(11-23-2)18-24-15/h3-4H,5-11H2,1-2H3.
What are the key properties of 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one?
2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one has a molecular weight of 350.45 g/mol, XLogP of 0.37, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).