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

C20H30N6O — CID 126912510

IUPAC3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nnc(C3CCN(CC4CCOCC4)CC3)n2nc1N1CCCC1
InChIInChI=1S/C20H30N6O/c1-2-10-25(9-1)19-4-3-18-21-22-20(26(18)23-19)17-5-11-24(12-6-17)15-16-7-13-27-14-8-16/h3-4,16-17H,1-2,5-15H2
InChIKeySFDUYTDLNSQOJV-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.33
Rot. Bonds4

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

3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126912510) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126912510
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nnc(C3CCN(CC4CCOCC4)CC3)n2nc1N1CCCC1
InChIInChI=1S/C20H30N6O/c1-2-10-25(9-1)19-4-3-18-21-22-20(26(18)23-19)17-5-11-24(12-6-17)15-16-7-13-27-14-8-16/h3-4,16-17H,1-2,5-15H2
InChIKeySFDUYTDLNSQOJV-UHFFFAOYSA-N
XLogP2.33
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126912510) is 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nnc(C3CCN(CC4CCOCC4)CC3)n2nc1N1CCCC1.
What is the InChIKey of 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SFDUYTDLNSQOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-2-10-25(9-1)19-4-3-18-21-22-20(26(18)23-19)17-5-11-24(12-6-17)15-16-7-13-27-14-8-16/h3-4,16-17H,1-2,5-15H2.
What are the key properties of 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 370.50 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxan-4-ylmethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126912510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).