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

C14H16N6O3S — CID 126910161

IUPAC4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1ccc2nnc(C3CCN(S(=O)(=O)c4cnoc4)CC3)n2n1
InChIInChI=1S/C14H16N6O3S/c1-10-2-3-13-16-17-14(20(13)18-10)11-4-6-19(7-5-11)24(21,22)12-8-15-23-9-12/h2-3,8-9,11H,4-7H2,1H3
InChIKeyVLGMVNDCYUTPAG-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.99
Rot. Bonds3

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

4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 126910161) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID126910161
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1ccc2nnc(C3CCN(S(=O)(=O)c4cnoc4)CC3)n2n1
InChIInChI=1S/C14H16N6O3S/c1-10-2-3-13-16-17-14(20(13)18-10)11-4-6-19(7-5-11)24(21,22)12-8-15-23-9-12/h2-3,8-9,11H,4-7H2,1H3
InChIKeyVLGMVNDCYUTPAG-UHFFFAOYSA-N
XLogP0.99
TPSA106.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

6-tert-butyl-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910617
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 126910021
N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyl-1,2-oxazole-4-sulfonamide
CID 126922213
5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910270
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913150
4-methyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 126910391
3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126910227
1-methylsulfonyl-3-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]piperidin-3-ol
CID 126910370
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine
CID 79525077
1-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 126910018
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
3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911938

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole (CID 126910161) is 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole is Cc1ccc2nnc(C3CCN(S(=O)(=O)c4cnoc4)CC3)n2n1.
What is the InChIKey of 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is VLGMVNDCYUTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-10-2-3-13-16-17-14(20(13)18-10)11-4-6-19(7-5-11)24(21,22)12-8-15-23-9-12/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 348.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 126910161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).