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

C12H18N6O — CID 66268797

IUPAC6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(N)C1CCCN(c2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C12H18N6O/c1-8(13)9-3-2-6-17(7-9)11-5-4-10-14-15-12(19)18(10)16-11/h4-5,8-9H,2-3,6-7,13H2,1H3,(H,15,19)
InChIKeyDSPSIQMJLQSQES-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.02
Rot. Bonds2

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

6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66268797) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66268797
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(N)C1CCCN(c2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C12H18N6O/c1-8(13)9-3-2-6-17(7-9)11-5-4-10-14-15-12(19)18(10)16-11/h4-5,8-9H,2-3,6-7,13H2,1H3,(H,15,19)
InChIKeyDSPSIQMJLQSQES-UHFFFAOYSA-N
XLogP-0.02
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66268797) is 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC(N)C1CCCN(c2ccc3n[nH]c(=O)n3n2)C1.
What is the InChIKey of 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is DSPSIQMJLQSQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(13)9-3-2-6-17(7-9)11-5-4-10-14-15-12(19)18(10)16-11/h4-5,8-9H,2-3,6-7,13H2,1H3,(H,15,19).
What are the key properties of 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 262.32 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66268797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).