5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

C18H24N8O — CID 126912451

IUPAC5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(c1ncno1)N1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1
InChIInChI=1S/C18H24N8O/c1-13(18-19-12-20-27-18)24-10-6-14(7-11-24)17-22-21-15-4-5-16(23-26(15)17)25-8-2-3-9-25/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyIPJTXOQUWHTMPY-UHFFFAOYSA-N
MW368.45 g/mol
LogP2.05
Rot. Bonds4

About 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole

5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 126912451) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID126912451
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCC(c1ncno1)N1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1
InChIInChI=1S/C18H24N8O/c1-13(18-19-12-20-27-18)24-10-6-14(7-11-24)17-22-21-15-4-5-16(23-26(15)17)25-8-2-3-9-25/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyIPJTXOQUWHTMPY-UHFFFAOYSA-N
XLogP2.05
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126912392
6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912397
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
CID 126912342
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]oxolan-3-ol
CID 126912541
[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 126912586
3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912510
3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912372

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 126912451) is 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is CC(c1ncno1)N1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1.
What is the InChIKey of 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is IPJTXOQUWHTMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-13(18-19-12-20-27-18)24-10-6-14(7-11-24)17-22-21-15-4-5-16(23-26(15)17)25-8-2-3-9-25/h4-5,12-14H,2-3,6-11H2,1H3.
What are the key properties of 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole?
5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 368.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126912451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).