3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C20H20N8O — CID 126913145

IUPAC3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccnc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)n1
InChIInChI=1S/C20H20N8O/c1-29-18-6-10-22-20(23-18)27-11-7-14(8-12-27)19-25-24-17-5-4-16(26-28(17)19)15-3-2-9-21-13-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3
InChIKeyOQNCKWDBNJSIKJ-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.37
Rot. Bonds4

About 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126913145) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126913145
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccnc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)n1
InChIInChI=1S/C20H20N8O/c1-29-18-6-10-22-20(23-18)27-11-7-14(8-12-27)19-25-24-17-5-4-16(26-28(17)19)15-3-2-9-21-13-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3
InChIKeyOQNCKWDBNJSIKJ-UHFFFAOYSA-N
XLogP2.37
TPSA94.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-methyl-2-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3-thiazole
CID 126913291
6-methoxy-3-(1-pyrimidin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911515
12-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911281
6-pyridin-3-yl-3-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913152
3-methyl-6-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126913144
3-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrrolidin-2-one
CID 126913243
3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913121
3-[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913208
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913150
1-[[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]cyclopentan-1-ol
CID 126913279
1-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]isoquinoline
CID 126911559
6-methoxy-3-(1-pyrimidin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911749

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126913145) is 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccnc(N2CCC(c3nnc4ccc(-c5cccnc5)nn34)CC2)n1.
What is the InChIKey of 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OQNCKWDBNJSIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-29-18-6-10-22-20(23-18)27-11-7-14(8-12-27)19-25-24-17-5-4-16(26-28(17)19)15-3-2-9-21-13-15/h2-6,9-10,13-14H,7-8,11-12H2,1H3.
What are the key properties of 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 388.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126913145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).