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

C14H22N6O — CID 66268798

IUPAC6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCNC(C)C1CCCN(c2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C14H22N6O/c1-3-15-10(2)11-5-4-8-19(9-11)13-7-6-12-16-17-14(21)20(12)18-13/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,17,21)
InChIKeyZUWFCEHVQMSBKW-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.63
Rot. Bonds4

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

6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66268798) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66268798
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCNC(C)C1CCCN(c2ccc3n[nH]c(=O)n3n2)C1
InChIInChI=1S/C14H22N6O/c1-3-15-10(2)11-5-4-8-19(9-11)13-7-6-12-16-17-14(21)20(12)18-13/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,17,21)
InChIKeyZUWFCEHVQMSBKW-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66268798) is 6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCNC(C)C1CCCN(c2ccc3n[nH]c(=O)n3n2)C1.
What is the InChIKey of 6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is ZUWFCEHVQMSBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-15-10(2)11-5-4-8-19(9-11)13-7-6-12-16-17-14(21)20(12)18-13/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,17,21).
What are the key properties of 6-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[3-[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-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66268798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).