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

C10H15N5O2 — CID 66282055

IUPAC6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOCC(C)Nc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N5O2/c1-3-17-6-7(2)11-8-4-5-9-12-13-10(16)15(9)14-8/h4-5,7H,3,6H2,1-2H3,(H,11,14)(H,13,16)
InChIKeyIQMRZDQXPKTVHW-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.25
Rot. Bonds5

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

6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66282055) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66282055
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCCOCC(C)Nc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H15N5O2/c1-3-17-6-7(2)11-8-4-5-9-12-13-10(16)15(9)14-8/h4-5,7H,3,6H2,1-2H3,(H,11,14)(H,13,16)
InChIKeyIQMRZDQXPKTVHW-UHFFFAOYSA-N
XLogP0.25
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(1-ethoxypropan-2-ylamino)-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-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66282055) is 6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CCOCC(C)Nc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is IQMRZDQXPKTVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-3-17-6-7(2)11-8-4-5-9-12-13-10(16)15(9)14-8/h4-5,7H,3,6H2,1-2H3,(H,11,14)(H,13,16).
What are the key properties of 6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 237.26 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxypropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66282055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).