2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

C18H22N6OS — CID 126911745

IUPAC2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCOc1ccc2nnc(C3CCN(c4nc5c(s4)CCCC5)CC3)n2n1
InChIInChI=1S/C18H22N6OS/c1-25-16-7-6-15-20-21-17(24(15)22-16)12-8-10-23(11-9-12)18-19-13-4-2-3-5-14(13)26-18/h6-7,12H,2-5,8-11H2,1H3
InChIKeyOFFIMDBCQJKUHX-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.85
Rot. Bonds3

About 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole

2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 126911745) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID126911745
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCOc1ccc2nnc(C3CCN(c4nc5c(s4)CCCC5)CC3)n2n1
InChIInChI=1S/C18H22N6OS/c1-25-16-7-6-15-20-21-17(24(15)22-16)12-8-10-23(11-9-12)18-19-13-4-2-3-5-14(13)26-18/h6-7,12H,2-5,8-11H2,1H3
InChIKeyOFFIMDBCQJKUHX-UHFFFAOYSA-N
XLogP2.85
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole with MolForge

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Related Compounds

2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 126911792
6-methoxy-3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911528
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
3-[1-(2-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911766
6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911749
6-methoxy-3-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911568
6-methoxy-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911521
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 126911757
6-methoxy-3-[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911815
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
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
1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]isoquinoline
CID 126911559

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 126911745) is 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is COc1ccc2nnc(C3CCN(c4nc5c(s4)CCCC5)CC3)n2n1.
What is the InChIKey of 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is OFFIMDBCQJKUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-25-16-7-6-15-20-21-17(24(15)22-16)12-8-10-23(11-9-12)18-19-13-4-2-3-5-14(13)26-18/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole?
2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 370.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 126911745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).