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

C21H22N6O — CID 126911736

IUPAC4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline
SMILESCOc1ccc2nnc(C3CCN(c4cc(C)nc5ccccc45)CC3)n2n1
InChIInChI=1S/C21H22N6O/c1-14-13-18(16-5-3-4-6-17(16)22-14)26-11-9-15(10-12-26)21-24-23-19-7-8-20(28-2)25-27(19)21/h3-8,13,15H,9-12H2,1-2H3
InChIKeyRUNLAMHJVPJHNN-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.37
Rot. Bonds3

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

4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline (PubChem CID 126911736) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline.

Molecular Properties

Compound Name4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline
PubChem CID126911736
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline
SMILESCOc1ccc2nnc(C3CCN(c4cc(C)nc5ccccc45)CC3)n2n1
InChIInChI=1S/C21H22N6O/c1-14-13-18(16-5-3-4-6-17(16)22-14)26-11-9-15(10-12-26)21-24-23-19-7-8-20(28-2)25-27(19)21/h3-8,13,15H,9-12H2,1-2H3
InChIKeyRUNLAMHJVPJHNN-UHFFFAOYSA-N
XLogP3.37
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]isoquinoline
CID 126911559
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-(6-methylpyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911568
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
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-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911749
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 126911757
cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
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]pyrido[3,4-d]pyrimidine
CID 126911822
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
5-(methoxymethyl)-7-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126911773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline?
The IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline (CID 126911736) is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline.
What is the SMILES notation for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline?
The canonical SMILES for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline is COc1ccc2nnc(C3CCN(c4cc(C)nc5ccccc45)CC3)n2n1.
What is the InChIKey of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline?
The InChIKey is RUNLAMHJVPJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-13-18(16-5-3-4-6-17(16)22-14)26-11-9-15(10-12-26)21-24-23-19-7-8-20(28-2)25-27(19)21/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline?
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline has a molecular weight of 374.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline is sourced from PubChem (CID 126911736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).