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

C18H27N7O3S — CID 126912342

IUPAC4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1
InChIInChI=1S/C18H27N7O3S/c26-29(27,24-11-13-28-14-12-24)23-9-5-15(6-10-23)18-20-19-16-3-4-17(21-25(16)18)22-7-1-2-8-22/h3-4,15H,1-2,5-14H2
InChIKeyWCUPMMUGJNOJHI-UHFFFAOYSA-N
MW421.53 g/mol
LogP0.48
Rot. Bonds4

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

4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine (PubChem CID 126912342) has the molecular formula C18H27N7O3S and a molecular weight of 421.53 g/mol. Its IUPAC name is 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
PubChem CID126912342
Molecular FormulaC18H27N7O3S
Molecular Weight421.53 g/mol
Exact Mass421.19
IUPAC Name4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1
InChIInChI=1S/C18H27N7O3S/c26-29(27,24-11-13-28-14-12-24)23-9-5-15(6-10-23)18-20-19-16-3-4-17(21-25(16)18)22-7-1-2-8-22/h3-4,15H,1-2,5-14H2
InChIKeyWCUPMMUGJNOJHI-UHFFFAOYSA-N
XLogP0.48
TPSA96.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912510
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-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912601
4-[[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
CID 154581408
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
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
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
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401
3-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126912399
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
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 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine (CID 126912342) is 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1.
What is the InChIKey of 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine?
The InChIKey is WCUPMMUGJNOJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O3S/c26-29(27,24-11-13-28-14-12-24)23-9-5-15(6-10-23)18-20-19-16-3-4-17(21-25(16)18)22-7-1-2-8-22/h3-4,15H,1-2,5-14H2.
What are the key properties of 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine?
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine has a molecular weight of 421.53 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 126912342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).