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

C17H26N6O2 — CID 20903711

IUPACN-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCOCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C17H26N6O2/c1-13-7-10-22(11-8-13)16-4-3-14-19-20-15(23(14)21-16)5-6-17(24)18-9-12-25-2/h3-4,13H,5-12H2,1-2H3,(H,18,24)
InChIKeyRVSSFFUCBAQLOK-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.06
Rot. Bonds7

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

N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903711) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903711
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCOCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12
InChIInChI=1S/C17H26N6O2/c1-13-7-10-22(11-8-13)16-4-3-14-19-20-15(23(14)21-16)5-6-17(24)18-9-12-25-2/h3-4,13H,5-12H2,1-2H3,(H,18,24)
InChIKeyRVSSFFUCBAQLOK-UHFFFAOYSA-N
XLogP1.06
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.06
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-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903711) is N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is COCCNC(=O)CCc1nnc2ccc(N3CCC(C)CC3)nn12.
What is the InChIKey of N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is RVSSFFUCBAQLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13-7-10-22(11-8-13)16-4-3-14-19-20-15(23(14)21-16)5-6-17(24)18-9-12-25-2/h3-4,13H,5-12H2,1-2H3,(H,18,24).
What are the key properties of N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 346.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[6-(4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).