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

C12H18N6O — CID 66283235

IUPAC6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCCC1CCCN(c2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C12H18N6O/c13-6-5-9-2-1-7-17(8-9)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,9H,1-2,5-8,13H2,(H,15,19)
InChIKeyCSYMGYSTPQKTKL-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.02
Rot. Bonds3

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

6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66283235) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66283235
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESNCCC1CCCN(c2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C12H18N6O/c13-6-5-9-2-1-7-17(8-9)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,9H,1-2,5-8,13H2,(H,15,19)
InChIKeyCSYMGYSTPQKTKL-UHFFFAOYSA-N
XLogP-0.02
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
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

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

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Related Compounds

CID 75379462
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CID 21494301
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CID 21494307
CID 21494307
CID 66268793
CID 66268793
CID 66268794
CID 66268794
CID 66268795
CID 66268795
CID 66268796
CID 66268796
CID 66268797
CID 66268797
CID 66268798
CID 66268798
CID 66268799
CID 66268799
CID 66281437
CID 66281437
CID 66281438
CID 66281438

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66283235) is 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is NCCC1CCCN(c2ccc3n[nH]c(=O)n3n2)C1.
What is the InChIKey of 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CSYMGYSTPQKTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c13-6-5-9-2-1-7-17(8-9)11-4-3-10-14-15-12(19)18(10)16-11/h3-4,9H,1-2,5-8,13H2,(H,15,19).
What are the key properties of 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[3-(2-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, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66283235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).