1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone

C17H23N5O2 — CID 126910018

IUPAC1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCc1ccc2nnc(C3CCN(C(=O)CC4CCCO4)CC3)n2n1
InChIInChI=1S/C17H23N5O2/c1-12-4-5-15-18-19-17(22(15)20-12)13-6-8-21(9-7-13)16(23)11-14-3-2-10-24-14/h4-5,13-14H,2-3,6-11H2,1H3
InChIKeyBBKDBLZJEZCOOI-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.71
Rot. Bonds3

About 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone

1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone (PubChem CID 126910018) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
PubChem CID126910018
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCc1ccc2nnc(C3CCN(C(=O)CC4CCCO4)CC3)n2n1
InChIInChI=1S/C17H23N5O2/c1-12-4-5-15-18-19-17(22(15)20-12)13-6-8-21(9-7-13)16(23)11-14-3-2-10-24-14/h4-5,13-14H,2-3,6-11H2,1H3
InChIKeyBBKDBLZJEZCOOI-UHFFFAOYSA-N
XLogP1.71
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone 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

[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
CID 126910040
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 126910021
2-[(2S)-oxolan-2-yl]-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 94112786
[6-(dimethylamino)pyridazin-3-yl]-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910050
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855939
5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910270
4-methyl-2-[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 176654966
1,3-benzothiazol-2-yl-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126910007
5,6-dimethyl-3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941072
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119260620
4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 126910391
1-[4-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110263692

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone (CID 126910018) is 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone is Cc1ccc2nnc(C3CCN(C(=O)CC4CCCO4)CC3)n2n1.
What is the InChIKey of 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The InChIKey is BBKDBLZJEZCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-4-5-15-18-19-17(22(15)20-12)13-6-8-21(9-7-13)16(23)11-14-3-2-10-24-14/h4-5,13-14H,2-3,6-11H2,1H3.
What are the key properties of 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 126910018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).