3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C21H33N7 — CID 126912372

IUPAC3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCN1CCCCC1CN1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1
InChIInChI=1S/C21H33N7/c1-25-11-3-2-6-18(25)16-26-14-9-17(10-15-26)21-23-22-19-7-8-20(24-28(19)21)27-12-4-5-13-27/h7-8,17-18H,2-6,9-16H2,1H3
InChIKeyFKHYYXJNRYVGJJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.39
Rot. Bonds4

About 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126912372) has the molecular formula C21H33N7 and a molecular weight of 383.54 g/mol. Its IUPAC name is 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126912372
Molecular FormulaC21H33N7
Molecular Weight383.54 g/mol
Exact Mass383.28
IUPAC Name3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCN1CCCCC1CN1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1
InChIInChI=1S/C21H33N7/c1-25-11-3-2-6-18(25)16-26-14-9-17(10-15-26)21-23-22-19-7-8-20(24-28(19)21)27-12-4-5-13-27/h7-8,17-18H,2-6,9-16H2,1H3
InChIKeyFKHYYXJNRYVGJJ-UHFFFAOYSA-N
XLogP2.39
TPSA52.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
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
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
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 126912705
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126912689
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126912387
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
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
[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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126912372) is 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is CN1CCCCC1CN1CCC(c2nnc3ccc(N4CCCC4)nn23)CC1.
What is the InChIKey of 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FKHYYXJNRYVGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7/c1-25-11-3-2-6-18(25)16-26-14-9-17(10-15-26)21-23-22-19-7-8-20(24-28(19)21)27-12-4-5-13-27/h7-8,17-18H,2-6,9-16H2,1H3.
What are the key properties of 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 383.54 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126912372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).