6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C13H20N6O — CID 66281495

IUPAC6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCNCC1CCCCN1c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C13H20N6O/c1-2-14-9-10-5-3-4-8-18(10)12-7-6-11-15-16-13(20)19(11)17-12/h6-7,10,14H,2-5,8-9H2,1H3,(H,16,20)
InChIKeyYGXGEQXIKYHUNX-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.39
Rot. Bonds4

About 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281495) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281495
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCNCC1CCCCN1c1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C13H20N6O/c1-2-14-9-10-5-3-4-8-18(10)12-7-6-11-15-16-13(20)19(11)17-12/h6-7,10,14H,2-5,8-9H2,1H3,(H,16,20)
InChIKeyYGXGEQXIKYHUNX-UHFFFAOYSA-N
XLogP0.39
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281495) is 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCNCC1CCCCN1c1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is YGXGEQXIKYHUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-14-9-10-5-3-4-8-18(10)12-7-6-11-15-16-13(20)19(11)17-12/h6-7,10,14H,2-5,8-9H2,1H3,(H,16,20).
What are the key properties of 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylaminomethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).