(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone

C17H24N6O2 — CID 128995882

IUPAC(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESCCC1OCCCC1C(=O)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C17H24N6O2/c1-2-14-13(4-3-11-25-14)17(24)22-9-7-21(8-10-22)16-6-5-15-19-18-12-23(15)20-16/h5-6,12-14H,2-4,7-11H2,1H3
InChIKeyQDFYGZZKNGEORT-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.98
Rot. Bonds3

About (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone

(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (PubChem CID 128995882) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
PubChem CID128995882
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
SMILESCCC1OCCCC1C(=O)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C17H24N6O2/c1-2-14-13(4-3-11-25-14)17(24)22-9-7-21(8-10-22)16-6-5-15-19-18-12-23(15)20-16/h5-6,12-14H,2-4,7-11H2,1H3
InChIKeyQDFYGZZKNGEORT-UHFFFAOYSA-N
XLogP0.98
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone 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

[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
[(2S,3S)-2-ethyloxan-3-yl]-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 129479414
[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-(2-ethyloxan-3-yl)methanone
CID 128995894
piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 119879754
pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone
CID 155800406
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621
(4-benzyl-1,4-diazepan-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 30828730
(3-aminophenyl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119879787
[(2R,3S)-2-ethyloxan-3-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 129492691
(2R)-N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 95332454
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995
1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one
CID 163358361

Frequently Asked Questions

What is the IUPAC name of (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone (CID 128995882) is (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is CCC1OCCCC1C(=O)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
The InChIKey is QDFYGZZKNGEORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-14-13(4-3-11-25-14)17(24)22-9-7-21(8-10-22)16-6-5-15-19-18-12-23(15)20-16/h5-6,12-14H,2-4,7-11H2,1H3.
What are the key properties of (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone?
(2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyloxan-3-yl)-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 128995882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).