N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C13H18N6O — CID 3053258

IUPACN-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCCC(=O)Nc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C13H18N6O/c1-2-12(20)14-13-16-15-10-6-7-11(17-19(10)13)18-8-4-3-5-9-18/h6-7H,2-5,8-9H2,1H3,(H,14,16,20)
InChIKeyGHDLRZMOLPPMMT-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.46
Rot. Bonds3

About N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 3053258) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID3053258
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCCC(=O)Nc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C13H18N6O/c1-2-12(20)14-13-16-15-10-6-7-11(17-19(10)13)18-8-4-3-5-9-18/h6-7H,2-5,8-9H2,1H3,(H,14,16,20)
InChIKeyGHDLRZMOLPPMMT-UHFFFAOYSA-N
XLogP1.46
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 3053258) is N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is CCC(=O)Nc1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is GHDLRZMOLPPMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-12(20)14-13-16-15-10-6-7-11(17-19(10)13)18-8-4-3-5-9-18/h6-7H,2-5,8-9H2,1H3,(H,14,16,20).
What are the key properties of N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 274.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 3053258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).