2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole

C16H18N6OS — CID 163348515

IUPAC2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESc1csc(OC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)n1
InChIInChI=1S/C16H18N6OS/c1-2-11(1)15-19-18-13-3-4-14(20-22(13)15)21-8-5-12(6-9-21)23-16-17-7-10-24-16/h3-4,7,10-12H,1-2,5-6,8-9H2
InChIKeyNSTREDCTYLBGAB-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.51
Rot. Bonds4

About 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole

2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 163348515) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole
PubChem CID163348515
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole
SMILESc1csc(OC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)n1
InChIInChI=1S/C16H18N6OS/c1-2-11(1)15-19-18-13-3-4-14(20-22(13)15)21-8-5-12(6-9-21)23-16-17-7-10-24-16/h3-4,7,10-12H,1-2,5-6,8-9H2
InChIKeyNSTREDCTYLBGAB-UHFFFAOYSA-N
XLogP2.51
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole with MolForge

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Related Compounds

2-cyclopropyl-5-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-1,3,4-thiadiazole
CID 163345458
2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126912392
3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133301058
3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 166605359
3-cyclopropyl-6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 136523293
1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126912387
6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912397
2-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 126912785

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole (CID 163348515) is 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole is c1csc(OC2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)n1.
What is the InChIKey of 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is NSTREDCTYLBGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-2-11(1)15-19-18-13-3-4-14(20-22(13)15)21-8-5-12(6-9-21)23-16-17-7-10-24-16/h3-4,7,10-12H,1-2,5-6,8-9H2.
What are the key properties of 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole?
2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 342.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 163348515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).