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

C10H14N6O — CID 66268793

IUPAC6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C10H14N6O/c11-7-3-5-15(6-4-7)9-2-1-8-12-13-10(17)16(8)14-9/h1-2,7H,3-6,11H2,(H,13,17)
InChIKeyJDLVXRWIKCGHIO-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.65
Rot. Bonds1

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

6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66268793) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66268793
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C10H14N6O/c11-7-3-5-15(6-4-7)9-2-1-8-12-13-10(17)16(8)14-9/h1-2,7H,3-6,11H2,(H,13,17)
InChIKeyJDLVXRWIKCGHIO-UHFFFAOYSA-N
XLogP-0.65
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66268793) is 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NC1CCN(c2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is JDLVXRWIKCGHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c11-7-3-5-15(6-4-7)9-2-1-8-12-13-10(17)16(8)14-9/h1-2,7H,3-6,11H2,(H,13,17).
What are the key properties of 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 234.26 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66268793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).