3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one

C17H24N6O — CID 20904018

IUPAC3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nnc2ccc(N3CCCCC3)nn12)N1CCCC1
InChIInChI=1S/C17H24N6O/c24-17(22-12-4-5-13-22)9-8-15-19-18-14-6-7-16(20-23(14)15)21-10-2-1-3-11-21/h6-7H,1-5,8-13H2
InChIKeyCNIBBOBIUVDCSC-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds4

About 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 20904018) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID20904018
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nnc2ccc(N3CCCCC3)nn12)N1CCCC1
InChIInChI=1S/C17H24N6O/c24-17(22-12-4-5-13-22)9-8-15-19-18-14-6-7-16(20-23(14)15)21-10-2-1-3-11-21/h6-7H,1-5,8-13H2
InChIKeyCNIBBOBIUVDCSC-UHFFFAOYSA-N
XLogP1.67
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 20904018) is 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1nnc2ccc(N3CCCCC3)nn12)N1CCCC1.
What is the InChIKey of 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CNIBBOBIUVDCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c24-17(22-12-4-5-13-22)9-8-15-19-18-14-6-7-16(20-23(14)15)21-10-2-1-3-11-21/h6-7H,1-5,8-13H2.
What are the key properties of 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 20904018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).