1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

C20H30N6O — CID 20904042

IUPAC1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)CCc2nnc3ccc(N4CCCCC4)nn23)C1
InChIInChI=1S/C20H30N6O/c1-15-12-16(2)14-25(13-15)20(27)9-8-18-22-21-17-6-7-19(23-26(17)18)24-10-4-3-5-11-24/h6-7,15-16H,3-5,8-14H2,1-2H3
InChIKeyYHOFRHDTNUZRFL-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.55
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (PubChem CID 20904042) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
PubChem CID20904042
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCC1CC(C)CN(C(=O)CCc2nnc3ccc(N4CCCCC4)nn23)C1
InChIInChI=1S/C20H30N6O/c1-15-12-16(2)14-25(13-15)20(27)9-8-18-22-21-17-6-7-19(23-26(17)18)24-10-4-3-5-11-24/h6-7,15-16H,3-5,8-14H2,1-2H3
InChIKeyYHOFRHDTNUZRFL-UHFFFAOYSA-N
XLogP2.55
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (CID 20904042) is 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is CC1CC(C)CN(C(=O)CCc2nnc3ccc(N4CCCCC4)nn23)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The InChIKey is YHOFRHDTNUZRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15-12-16(2)14-25(13-15)20(27)9-8-18-22-21-17-6-7-19(23-26(17)18)24-10-4-3-5-11-24/h6-7,15-16H,3-5,8-14H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one has a molecular weight of 370.50 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is sourced from PubChem (CID 20904042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).