5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one

C20H28N6O2 — CID 126910489

IUPAC5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCC(C)(C)c1ccc2nnc(C3CCN(C(=O)C4CCC(=O)NC4)CC3)n2n1
InChIInChI=1S/C20H28N6O2/c1-20(2,3)15-5-6-16-22-23-18(26(16)24-15)13-8-10-25(11-9-13)19(28)14-4-7-17(27)21-12-14/h5-6,13-14H,4,7-12H2,1-3H3,(H,21,27)
InChIKeyHGDCRGSCMDDUIW-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.65
Rot. Bonds2

About 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one

5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 126910489) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID126910489
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCC(C)(C)c1ccc2nnc(C3CCN(C(=O)C4CCC(=O)NC4)CC3)n2n1
InChIInChI=1S/C20H28N6O2/c1-20(2,3)15-5-6-16-22-23-18(26(16)24-15)13-8-10-25(11-9-13)19(28)14-4-7-17(27)21-12-14/h5-6,13-14H,4,7-12H2,1-3H3,(H,21,27)
InChIKeyHGDCRGSCMDDUIW-UHFFFAOYSA-N
XLogP1.65
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126910484
6-tert-butyl-3-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910564
1-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 126910474
5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-4-methoxy-1-methylpyridin-2-one
CID 126910517
cyclopropyl-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methanone
CID 126855968
6-tert-butyl-3-(1-pyrazin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910534
4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 126910916
1-[2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]azepan-2-one
CID 126910752
6-tert-butyl-3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910547
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
5-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)piperidin-2-one
CID 115776440

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one (CID 126910489) is 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one is CC(C)(C)c1ccc2nnc(C3CCN(C(=O)C4CCC(=O)NC4)CC3)n2n1.
What is the InChIKey of 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is HGDCRGSCMDDUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-20(2,3)15-5-6-16-22-23-18(26(16)24-15)13-8-10-25(11-9-13)19(28)14-4-7-17(27)21-12-14/h5-6,13-14H,4,7-12H2,1-3H3,(H,21,27).
What are the key properties of 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one?
5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 384.48 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 126910489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).