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

C17H27N7O2 — CID 20903896

IUPACN-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCOCCCNC(=O)CCc1nnc2ccc(N3CCN(C)CC3)nn12
InChIInChI=1S/C17H27N7O2/c1-22-9-11-23(12-10-22)16-5-4-14-19-20-15(24(14)21-16)6-7-17(25)18-8-3-13-26-2/h4-5H,3,6-13H2,1-2H3,(H,18,25)
InChIKeyCFFFLSFNVBUFNP-UHFFFAOYSA-N
MW361.45 g/mol
LogP-0.04
Rot. Bonds8

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

N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (PubChem CID 20903896) has the molecular formula C17H27N7O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
PubChem CID20903896
Molecular FormulaC17H27N7O2
Molecular Weight361.45 g/mol
Exact Mass361.22
IUPAC NameN-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
SMILESCOCCCNC(=O)CCc1nnc2ccc(N3CCN(C)CC3)nn12
InChIInChI=1S/C17H27N7O2/c1-22-9-11-23(12-10-22)16-5-4-14-19-20-15(24(14)21-16)6-7-17(25)18-8-3-13-26-2/h4-5H,3,6-13H2,1-2H3,(H,18,25)
InChIKeyCFFFLSFNVBUFNP-UHFFFAOYSA-N
XLogP-0.04
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The IUPAC name of N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide (CID 20903896) is N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-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-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is COCCCNC(=O)CCc1nnc2ccc(N3CCN(C)CC3)nn12.
What is the InChIKey of N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
The InChIKey is CFFFLSFNVBUFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O2/c1-22-9-11-23(12-10-22)16-5-4-14-19-20-15(24(14)21-16)6-7-17(25)18-8-3-13-26-2/h4-5H,3,6-13H2,1-2H3,(H,18,25).
What are the key properties of N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide?
N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide has a molecular weight of 361.45 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-3-[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide is sourced from PubChem (CID 20903896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).