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

C19H28N6O — CID 20903698

IUPAC3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC1CCN(c2ccc3nnc(CCC(=O)N4CCCCC4)n3n2)CC1
InChIInChI=1S/C19H28N6O/c1-15-9-13-23(14-10-15)18-6-5-16-20-21-17(25(16)22-18)7-8-19(26)24-11-3-2-4-12-24/h5-6,15H,2-4,7-14H2,1H3
InChIKeyAYGTYJKJXOKKQO-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.31
Rot. Bonds4

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

3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 20903698) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID20903698
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC1CCN(c2ccc3nnc(CCC(=O)N4CCCCC4)n3n2)CC1
InChIInChI=1S/C19H28N6O/c1-15-9-13-23(14-10-15)18-6-5-16-20-21-17(25(16)22-18)7-8-19(26)24-11-3-2-4-12-24/h5-6,15H,2-4,7-14H2,1H3
InChIKeyAYGTYJKJXOKKQO-UHFFFAOYSA-N
XLogP2.31
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 910090
Ethyl 1-{3-[6-(4-methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanoyl}piperidine-4-carboxylate
CID 20903685
Ethyl 2-{3-[6-(4-methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}acetate
CID 20903690
Methyl 3-methyl-2-{3-[6-(4-methylpiperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}butanoate
CID 20903724
1-(3,5-Dimethylpiperidin-1-YL)-3-[6-(piperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propan-1-one
CID 20904042
methyl N-[3-(6-piperidin-1-yl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoyl]valinate
CID 20904053
N-isopropyl-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903699
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
CID 20903700
N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903711
N-(3-methylbutyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903705
3-(6-{1,4-Dioxa-8-azaspiro[4.5]decan-8-YL}-[1,2,4]triazolo[4,3-B]pyridazin-3-YL)-1-(piperidin-1-YL)propan-1-one
CID 20957175
N-(sec-butyl)-3-[6-(4-methylpiperidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20903680

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]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one (CID 20903698) is 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one is CC1CCN(c2ccc3nnc(CCC(=O)N4CCCCC4)n3n2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is AYGTYJKJXOKKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-15-9-13-23(14-10-15)18-6-5-16-20-21-17(25(16)22-18)7-8-19(26)24-11-3-2-4-12-24/h5-6,15H,2-4,7-14H2,1H3.
What are the key properties of 3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one?
3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 356.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 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]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 20903698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).