cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone

C17H21N5O2 — CID 126911479

IUPACcyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2nnc(C3CCN(C(=O)C4CC=CC4)CC3)n2n1
InChIInChI=1S/C17H21N5O2/c1-24-15-7-6-14-18-19-16(22(14)20-15)12-8-10-21(11-9-12)17(23)13-4-2-3-5-13/h2-3,6-7,12-13H,4-5,8-11H2,1H3
InChIKeySKYUHVKARUQNBL-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.81
Rot. Bonds3

About cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone

cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (PubChem CID 126911479) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
PubChem CID126911479
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Namecyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2nnc(C3CCN(C(=O)C4CC=CC4)CC3)n2n1
InChIInChI=1S/C17H21N5O2/c1-24-15-7-6-14-18-19-16(22(14)20-15)12-8-10-21(11-9-12)17(23)13-4-2-3-5-13/h2-3,6-7,12-13H,4-5,8-11H2,1H3
InChIKeySKYUHVKARUQNBL-UHFFFAOYSA-N
XLogP1.81
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-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

cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 126912586
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126911442
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126911488
(4-bromothiophen-2-yl)-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126911793
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
CID 126855988
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
6-methoxy-3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911528
4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 126910916
3-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1-methylpiperidin-2-one
CID 126911720
6-methoxy-3-[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911606
6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911749

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone (CID 126911479) is cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is COc1ccc2nnc(C3CCN(C(=O)C4CC=CC4)CC3)n2n1.
What is the InChIKey of cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is SKYUHVKARUQNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-15-7-6-14-18-19-16(22(14)20-15)12-8-10-21(11-9-12)17(23)13-4-2-3-5-13/h2-3,6-7,12-13H,4-5,8-11H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone?
cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 327.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 126911479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).