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

C18H28N6O2 — CID 20903730

IUPACN-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCOCCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C18H28N6O2/c1-14-8-11-23(12-9-14)17-5-4-15-20-21-16(24(15)22-17)6-7-18(25)19-10-3-13-26-2/h4-5,14H,3,6-13H2,1-2H3,(H,19,25)
InChIKeyHAHIEIUZESLDBV-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.45
Rot. Bonds8

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

N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903730) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903730
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCOCCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C18H28N6O2/c1-14-8-11-23(12-9-14)17-5-4-15-20-21-16(24(15)22-17)6-7-18(25)19-10-3-13-26-2/h4-5,14H,3,6-13H2,1-2H3,(H,19,25)
InChIKeyHAHIEIUZESLDBV-UHFFFAOYSA-N
XLogP1.45
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903730) is N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is COCCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12.
What is the InChIKey of N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is HAHIEIUZESLDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-14-8-11-23(12-9-14)17-5-4-15-20-21-16(24(15)22-17)6-7-18(25)19-10-3-13-26-2/h4-5,14H,3,6-13H2,1-2H3,(H,19,25).
What are the key properties of N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 360.46 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).