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

C17H26N6O — CID 20903700

IUPAC3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C17H26N6O/c1-3-10-18-17(24)7-6-15-20-19-14-4-5-16(21-23(14)15)22-11-8-13(2)9-12-22/h4-5,13H,3,6-12H2,1-2H3,(H,18,24)
InChIKeyDOTPNGJXHDPXRJ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.82
Rot. Bonds6

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

3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide (PubChem CID 20903700) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
PubChem CID20903700
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C17H26N6O/c1-3-10-18-17(24)7-6-15-20-19-14-4-5-16(21-23(14)15)22-11-8-13(2)9-12-22/h4-5,13H,3,6-12H2,1-2H3,(H,18,24)
InChIKeyDOTPNGJXHDPXRJ-UHFFFAOYSA-N
XLogP1.82
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide?
The IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide (CID 20903700) is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide?
The canonical SMILES for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide is CCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12.
What is the InChIKey of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide?
The InChIKey is DOTPNGJXHDPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-3-10-18-17(24)7-6-15-20-19-14-4-5-16(21-23(14)15)22-11-8-13(2)9-12-22/h4-5,13H,3,6-12H2,1-2H3,(H,18,24).
What are the key properties of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide?
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide has a molecular weight of 330.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide is sourced from PubChem (CID 20903700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).