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

C18H28N6O2 — CID 20956883

IUPACN-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCCOCCCNC(=O)CCc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C18H28N6O2/c1-2-26-14-6-11-19-18(25)10-9-16-21-20-15-7-8-17(22-24(15)16)23-12-4-3-5-13-23/h7-8H,2-6,9-14H2,1H3,(H,19,25)
InChIKeyWAWZTBWOWYMZMM-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.59
Rot. Bonds9

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

N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20956883) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID20956883
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCCOCCCNC(=O)CCc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C18H28N6O2/c1-2-26-14-6-11-19-18(25)10-9-16-21-20-15-7-8-17(22-24(15)16)23-12-4-3-5-13-23/h7-8H,2-6,9-14H2,1H3,(H,19,25)
InChIKeyWAWZTBWOWYMZMM-UHFFFAOYSA-N
XLogP1.59
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
Ethyl 1-[3-(6-{[3-(2-oxopyrrolidin-1-YL)propyl]amino}-[1,2,4]triazolo[4,3-B]pyridazin-3-YL)propanoyl]piperidine-4-carboxylate
CID 20957484
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
Ethyl 2-{3-[6-(piperidin-1-YL)-[1,2,4]triazolo[4,3-B]pyridazin-3-YL]propanamido}propanoate
CID 20904052
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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20956883) is N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is CCOCCCNC(=O)CCc1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is WAWZTBWOWYMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-2-26-14-6-11-19-18(25)10-9-16-21-20-15-7-8-17(22-24(15)16)23-12-4-3-5-13-23/h7-8H,2-6,9-14H2,1H3,(H,19,25).
What are the key properties of N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 360.46 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20956883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).