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

C14H22N6O — CID 66281438

IUPAC6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCNC(C)C1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C14H22N6O/c1-3-15-10(2)11-6-8-19(9-7-11)13-5-4-12-16-17-14(21)20(12)18-13/h4-5,10-11,15H,3,6-9H2,1-2H3,(H,17,21)
InChIKeyNVTXETFKKAXEAB-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.63
Rot. Bonds4

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

6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66281438) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66281438
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCNC(C)C1CCN(c2ccc3n[nH]c(=O)n3n2)CC1
InChIInChI=1S/C14H22N6O/c1-3-15-10(2)11-6-8-19(9-7-11)13-5-4-12-16-17-14(21)20(12)18-13/h4-5,10-11,15H,3,6-9H2,1-2H3,(H,17,21)
InChIKeyNVTXETFKKAXEAB-UHFFFAOYSA-N
XLogP0.63
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66281438) is 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCNC(C)C1CCN(c2ccc3n[nH]c(=O)n3n2)CC1.
What is the InChIKey of 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is NVTXETFKKAXEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-15-10(2)11-6-8-19(9-7-11)13-5-4-12-16-17-14(21)20(12)18-13/h4-5,10-11,15H,3,6-9H2,1-2H3,(H,17,21).
What are the key properties of 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 290.37 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66281438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).