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

C17H22N8O — CID 126911757

IUPAC4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc2nnc(C3CCN(c4ccnc(N(C)C)n4)CC3)n2n1
InChIInChI=1S/C17H22N8O/c1-23(2)17-18-9-6-13(19-17)24-10-7-12(8-11-24)16-21-20-14-4-5-15(26-3)22-25(14)16/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyGPMBWMKGWCQXGI-UHFFFAOYSA-N
MW354.42 g/mol
LogP1.37
Rot. Bonds4

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

4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 126911757) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID126911757
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC Name4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc2nnc(C3CCN(c4ccnc(N(C)C)n4)CC3)n2n1
InChIInChI=1S/C17H22N8O/c1-23(2)17-18-9-6-13(19-17)24-10-7-12(8-11-24)16-21-20-14-4-5-15(26-3)22-25(14)16/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyGPMBWMKGWCQXGI-UHFFFAOYSA-N
XLogP1.37
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 126911123
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-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
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-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911521
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
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
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrido[3,4-d]pyrimidine
CID 126911822
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylquinoline
CID 126911736

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]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 126911757) is 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine is COc1ccc2nnc(C3CCN(c4ccnc(N(C)C)n4)CC3)n2n1.
What is the InChIKey of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is GPMBWMKGWCQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O/c1-23(2)17-18-9-6-13(19-17)24-10-7-12(8-11-24)16-21-20-14-4-5-15(26-3)22-25(14)16/h4-6,9,12H,7-8,10-11H2,1-3H3.
What are the key properties of 4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 354.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 9 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]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 126911757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).