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

C19H25N5OS — CID 126865486

IUPAC2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2nc(C3CCC3)ns2)CC1
InChIInChI=1S/C19H25N5OS/c25-17-7-6-16(14-4-5-14)21-24(17)12-13-8-10-23(11-9-13)19-20-18(22-26-19)15-2-1-3-15/h6-7,13-15H,1-5,8-12H2
InChIKeyHLDUOLGLWYBDLK-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.16
Rot. Bonds5

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

2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one (PubChem CID 126865486) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
PubChem CID126865486
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1CC1CCN(c2nc(C3CCC3)ns2)CC1
InChIInChI=1S/C19H25N5OS/c25-17-7-6-16(14-4-5-14)21-24(17)12-13-8-10-23(11-9-13)19-20-18(22-26-19)15-2-1-3-15/h6-7,13-15H,1-5,8-12H2
InChIKeyHLDUOLGLWYBDLK-UHFFFAOYSA-N
XLogP3.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.16
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-cyclopropylpyridazin-3-one?
The IUPAC name of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one (CID 126865486) is 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one is O=c1ccc(C2CC2)nn1CC1CCN(c2nc(C3CCC3)ns2)CC1.
What is the InChIKey of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
The InChIKey is HLDUOLGLWYBDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c25-17-7-6-16(14-4-5-14)21-24(17)12-13-8-10-23(11-9-13)19-20-18(22-26-19)15-2-1-3-15/h6-7,13-15H,1-5,8-12H2.
What are the key properties of 2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one?
2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one has a molecular weight of 371.51 g/mol, XLogP of 3.16, 5 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-cyclopropylpyridazin-3-one is sourced from PubChem (CID 126865486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).