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

C13H20N6O — CID 66281662

IUPAC6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCN1CCC(CNc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C13H20N6O/c1-2-18-7-5-10(6-8-18)9-14-11-3-4-12-15-16-13(20)19(12)17-11/h3-4,10H,2,5-9H2,1H3,(H,14,17)(H,16,20)
InChIKeyUTDCVCVDYPYCEX-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.56
Rot. Bonds4

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

6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281662) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281662
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCN1CCC(CNc2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C13H20N6O/c1-2-18-7-5-10(6-8-18)9-14-11-3-4-12-15-16-13(20)19(12)17-11/h3-4,10H,2,5-9H2,1H3,(H,14,17)(H,16,20)
InChIKeyUTDCVCVDYPYCEX-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281662) is 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCN1CCC(CNc2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is UTDCVCVDYPYCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-18-7-5-10(6-8-18)9-14-11-3-4-12-15-16-13(20)19(12)17-11/h3-4,10H,2,5-9H2,1H3,(H,14,17)(H,16,20).
What are the key properties of 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpiperidin-4-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).