2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

C18H21N7OS — CID 126863328

IUPAC2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESO=c1ccc(-n2cncn2)nn1CC1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H21N7OS/c26-17-5-4-16(25-12-19-11-20-25)22-24(17)10-13-6-8-23(9-7-13)18-21-14-2-1-3-15(14)27-18/h4-5,11-13H,1-3,6-10H2
InChIKeyJYLAEFQXARKBPT-UHFFFAOYSA-N
MW383.48 g/mol
LogP1.69
Rot. Bonds4

About 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one

2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (PubChem CID 126863328) has the molecular formula C18H21N7OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
PubChem CID126863328
Molecular FormulaC18H21N7OS
Molecular Weight383.48 g/mol
Exact Mass383.15
IUPAC Name2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
SMILESO=c1ccc(-n2cncn2)nn1CC1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C18H21N7OS/c26-17-5-4-16(25-12-19-11-20-25)22-24(17)10-13-6-8-23(9-7-13)18-21-14-2-1-3-15(14)27-18/h4-5,11-13H,1-3,6-10H2
InChIKeyJYLAEFQXARKBPT-UHFFFAOYSA-N
XLogP1.69
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one (CID 126863328) is 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is O=c1ccc(-n2cncn2)nn1CC1CCN(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
The InChIKey is JYLAEFQXARKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7OS/c26-17-5-4-16(25-12-19-11-20-25)22-24(17)10-13-6-8-23(9-7-13)18-21-14-2-1-3-15(14)27-18/h4-5,11-13H,1-3,6-10H2.
What are the key properties of 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one?
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one has a molecular weight of 383.48 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-4-yl]methyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126863328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).