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

C15H21N5O2S — CID 126864177

IUPAC2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCOCc1nsc(N2CCC(Cn3nc(C)ccc3=O)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-3-4-14(21)20(17-11)9-12-5-7-19(8-6-12)15-16-13(10-22-2)18-23-15/h3-4,12H,5-10H2,1-2H3
InChIKeyKKPPJIUIRHFFTH-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.47
Rot. Bonds5

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

2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864177) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864177
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCOCc1nsc(N2CCC(Cn3nc(C)ccc3=O)CC2)n1
InChIInChI=1S/C15H21N5O2S/c1-11-3-4-14(21)20(17-11)9-12-5-7-19(8-6-12)15-16-13(10-22-2)18-23-15/h3-4,12H,5-10H2,1-2H3
InChIKeyKKPPJIUIRHFFTH-UHFFFAOYSA-N
XLogP1.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864177) is 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is COCc1nsc(N2CCC(Cn3nc(C)ccc3=O)CC2)n1.
What is the InChIKey of 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is KKPPJIUIRHFFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-3-4-14(21)20(17-11)9-12-5-7-19(8-6-12)15-16-13(10-22-2)18-23-15/h3-4,12H,5-10H2,1-2H3.
What are the key properties of 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 335.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).