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

C17H23N5OS — CID 126864166

IUPAC2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3nc(C4CCC4)ns3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-12-5-6-15(23)22(19-12)11-13-7-9-21(10-8-13)17-18-16(20-24-17)14-3-2-4-14/h5-6,13-14H,2-4,7-11H2,1H3
InChIKeyUOWWILIBFOEFRB-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.59
Rot. Bonds4

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

2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126864166) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126864166
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3nc(C4CCC4)ns3)CC2)n1
InChIInChI=1S/C17H23N5OS/c1-12-5-6-15(23)22(19-12)11-13-7-9-21(10-8-13)17-18-16(20-24-17)14-3-2-4-14/h5-6,13-14H,2-4,7-11H2,1H3
InChIKeyUOWWILIBFOEFRB-UHFFFAOYSA-N
XLogP2.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126864166) is 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(c3nc(C4CCC4)ns3)CC2)n1.
What is the InChIKey of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is UOWWILIBFOEFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-5-6-15(23)22(19-12)11-13-7-9-21(10-8-13)17-18-16(20-24-17)14-3-2-4-14/h5-6,13-14H,2-4,7-11H2,1H3.
What are the key properties of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 345.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126864166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).