6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H15N5O2 — CID 66282666

IUPAC6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNC1(COc2ccc3n[nH]c(=O)n3n2)CCCC1
InChIInChI=1S/C11H15N5O2/c12-11(5-1-2-6-11)7-18-9-4-3-8-13-14-10(17)16(8)15-9/h3-4H,1-2,5-7,12H2,(H,14,17)
InChIKeyXKTBPRKRGKCWHC-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.07
Rot. Bonds3

About 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282666) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282666
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNC1(COc2ccc3n[nH]c(=O)n3n2)CCCC1
InChIInChI=1S/C11H15N5O2/c12-11(5-1-2-6-11)7-18-9-4-3-8-13-14-10(17)16(8)15-9/h3-4H,1-2,5-7,12H2,(H,14,17)
InChIKeyXKTBPRKRGKCWHC-UHFFFAOYSA-N
XLogP0.07
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282666) is 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NC1(COc2ccc3n[nH]c(=O)n3n2)CCCC1.
What is the InChIKey of 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is XKTBPRKRGKCWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-11(5-1-2-6-11)7-18-9-4-3-8-13-14-10(17)16(8)15-9/h3-4H,1-2,5-7,12H2,(H,14,17).
What are the key properties of 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 249.27 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-aminocyclopentyl)methoxy]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).