6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C9H11N5O2 — CID 6612263

IUPAC6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C9H11N5O2/c15-9-11-10-7-1-2-8(12-14(7)9)13-3-5-16-6-4-13/h1-2H,3-6H2,(H,11,15)
InChIKeyOKTZQJKXKPCKPH-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.75
Rot. Bonds1

About 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 6612263) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID6612263
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C9H11N5O2/c15-9-11-10-7-1-2-8(12-14(7)9)13-3-5-16-6-4-13/h1-2H,3-6H2,(H,11,15)
InChIKeyOKTZQJKXKPCKPH-UHFFFAOYSA-N
XLogP-0.75
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-morpholin-4-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-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 6612263) is 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N3CCOCC3)nn12.
What is the InChIKey of 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is OKTZQJKXKPCKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c15-9-11-10-7-1-2-8(12-14(7)9)13-3-5-16-6-4-13/h1-2H,3-6H2,(H,11,15).
What are the key properties of 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 221.22 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 6612263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).