5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole

C18H20N8O — CID 126912881

IUPAC5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1
InChIInChI=1S/C18H20N8O/c1-13-15(11-20-27-13)12-24-9-5-14(6-10-24)18-22-21-16-3-4-17(23-26(16)18)25-8-2-7-19-25/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3
InChIKeyRRRAKEBUPCTQAL-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.99
Rot. Bonds4

About 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole

5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 126912881) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID126912881
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1oncc1CN1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1
InChIInChI=1S/C18H20N8O/c1-13-15(11-20-27-13)12-24-9-5-14(6-10-24)18-22-21-16-3-4-17(23-26(16)18)25-8-2-7-19-25/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3
InChIKeyRRRAKEBUPCTQAL-UHFFFAOYSA-N
XLogP1.99
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126912807
3-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126912883
3-[1-(oxan-2-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912998
3-[1-(oxan-3-ylmethyl)piperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912997
3-(1-methylsulfonylpiperidin-4-yl)-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912835
cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126912802
2-cyclopentyl-1-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethanone
CID 126912797
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912841
2-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126913014
5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910270
[6-(dimethylamino)pyridazin-3-yl]-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126912829
1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126910208

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 126912881) is 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1oncc1CN1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1.
What is the InChIKey of 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is RRRAKEBUPCTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-13-15(11-20-27-13)12-24-9-5-14(6-10-24)18-22-21-16-3-4-17(23-26(16)18)25-8-2-7-19-25/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3.
What are the key properties of 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole?
5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 364.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126912881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).