3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide

C17H26N6O2 — CID 20903947

IUPAC3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)NCC3CCCO3)n2n1
InChIInChI=1S/C17H26N6O2/c1-3-22(4-2)16-8-7-14-19-20-15(23(14)21-16)9-10-17(24)18-12-13-6-5-11-25-13/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,24)
InChIKeyMXZBXIBIKIQCFG-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.20
Rot. Bonds8

About 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 20903947) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID20903947
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCN(CC)c1ccc2nnc(CCC(=O)NCC3CCCO3)n2n1
InChIInChI=1S/C17H26N6O2/c1-3-22(4-2)16-8-7-14-19-20-15(23(14)21-16)9-10-17(24)18-12-13-6-5-11-25-13/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,24)
InChIKeyMXZBXIBIKIQCFG-UHFFFAOYSA-N
XLogP1.20
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 71689007
N-[2-[6-(oxolan-2-ylmethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]ethanesulfonamide
CID 43958037
2-(N-ethyl-4-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 78826010
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
3-(1-methyl-3-phenylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95065889
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
N-(oxolan-2-ylmethyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335177
methyl 4-oxo-4-(oxolan-2-ylmethylamino)butanoate
CID 112511188
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 90013649

Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 20903947) is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide is CCN(CC)c1ccc2nnc(CCC(=O)NCC3CCCO3)n2n1.
What is the InChIKey of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is MXZBXIBIKIQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-3-22(4-2)16-8-7-14-19-20-15(23(14)21-16)9-10-17(24)18-12-13-6-5-11-25-13/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,24).
What are the key properties of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 346.44 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 20903947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).