(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

C18H18N8O2 — CID 126912807

IUPAC(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
SMILESCc1oncc1C(=O)N1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1
InChIInChI=1S/C18H18N8O2/c1-12-14(11-20-28-12)18(27)24-9-5-13(6-10-24)17-22-21-15-3-4-16(23-26(15)17)25-8-2-7-19-25/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyWQXUKDMZPTYSQR-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.63
Rot. Bonds3

About (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

(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 (PubChem CID 126912807) has the molecular formula C18H18N8O2 and a molecular weight of 378.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID126912807
Molecular FormulaC18H18N8O2
Molecular Weight378.40 g/mol
Exact Mass378.16
IUPAC Name(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
SMILESCc1oncc1C(=O)N1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1
InChIInChI=1S/C18H18N8O2/c1-12-14(11-20-28-12)18(27)24-9-5-13(6-10-24)17-22-21-15-3-4-16(23-26(15)17)25-8-2-7-19-25/h2-4,7-8,11,13H,5-6,9-10H2,1H3
InChIKeyWQXUKDMZPTYSQR-UHFFFAOYSA-N
XLogP1.63
TPSA107.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

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Related Compounds

cyclobutyl-[4-(6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126912802
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
[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 126911863
2-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864291
[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
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-methylsulfonylpiperidin-4-yl)-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912835
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-pyrazol-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912841
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
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1oncc1C(=O)N1CCC(c2nnc3ccc(-n4cccn4)nn23)CC1.
What is the InChIKey of (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?
The InChIKey is WQXUKDMZPTYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O2/c1-12-14(11-20-28-12)18(27)24-9-5-13(6-10-24)17-22-21-15-3-4-16(23-26(15)17)25-8-2-7-19-25/h2-4,7-8,11,13H,5-6,9-10H2,1H3.
What are the key properties of (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?
(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 has a molecular weight of 378.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 126912807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).