4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

C11H15N5O — CID 3043941

IUPAC4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESCc1cc(N2CCOCC2)nn2c(C)nnc12
InChIInChI=1S/C11H15N5O/c1-8-7-10(15-3-5-17-6-4-15)14-16-9(2)12-13-11(8)16/h7H,3-6H2,1-2H3
InChIKeyYHMTVBXZYCYLCW-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.58
Rot. Bonds1

About 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (PubChem CID 3043941) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
PubChem CID3043941
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESCc1cc(N2CCOCC2)nn2c(C)nnc12
InChIInChI=1S/C11H15N5O/c1-8-7-10(15-3-5-17-6-4-15)14-16-9(2)12-13-11(8)16/h7H,3-6H2,1-2H3
InChIKeyYHMTVBXZYCYLCW-UHFFFAOYSA-N
XLogP0.58
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine 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 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The IUPAC name of 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (CID 3043941) is 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The canonical SMILES for 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is Cc1cc(N2CCOCC2)nn2c(C)nnc12.
What is the InChIKey of 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The InChIKey is YHMTVBXZYCYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-7-10(15-3-5-17-6-4-15)14-16-9(2)12-13-11(8)16/h7H,3-6H2,1-2H3.
What are the key properties of 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine has a molecular weight of 233.27 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 3043941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).