6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C10H13N5O2 — CID 66281881

IUPAC6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCC(O)CC3)nn12
InChIInChI=1S/C10H13N5O2/c16-7-3-5-14(6-4-7)9-2-1-8-11-12-10(17)15(8)13-9/h1-2,7,16H,3-6H2,(H,12,17)
InChIKeyLBJNVVHBUYBSEH-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.62
Rot. Bonds1

About 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281881) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281881
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCC(O)CC3)nn12
InChIInChI=1S/C10H13N5O2/c16-7-3-5-14(6-4-7)9-2-1-8-11-12-10(17)15(8)13-9/h1-2,7,16H,3-6H2,(H,12,17)
InChIKeyLBJNVVHBUYBSEH-UHFFFAOYSA-N
XLogP-0.62
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281881) is 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CCC(O)CC3)nn12.
What is the InChIKey of 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is LBJNVVHBUYBSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-7-3-5-14(6-4-7)9-2-1-8-11-12-10(17)15(8)13-9/h1-2,7,16H,3-6H2,(H,12,17).
What are the key properties of 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 235.25 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).