4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one

C15H21N7O2 — CID 126920682

IUPAC4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one
SMILESCN(CCN1CCOCC1=O)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H21N7O2/c1-19(4-5-20-6-7-24-10-15(20)23)12-8-21(9-12)14-3-2-13-17-16-11-22(13)18-14/h2-3,11-12H,4-10H2,1H3
InChIKeyRYBZQIPLDDGDMG-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.90
Rot. Bonds5

About 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one

4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one (PubChem CID 126920682) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one
PubChem CID126920682
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one
SMILESCN(CCN1CCOCC1=O)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H21N7O2/c1-19(4-5-20-6-7-24-10-15(20)23)12-8-21(9-12)14-3-2-13-17-16-11-22(13)18-14/h2-3,11-12H,4-10H2,1H3
InChIKeyRYBZQIPLDDGDMG-UHFFFAOYSA-N
XLogP-0.90
TPSA79.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-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

Related Compounds

N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920667
1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one
CID 126920686
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-methyl-N-[(3-methyltriazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920624
N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920616
5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-2-one
CID 126920697
N-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920525
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920523
N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920637
1-[3-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 126920676
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
CID 166603584

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one?
The IUPAC name of 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one (CID 126920682) is 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one is CN(CCN1CCOCC1=O)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one?
The InChIKey is RYBZQIPLDDGDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-19(4-5-20-6-7-24-10-15(20)23)12-8-21(9-12)14-3-2-13-17-16-11-22(13)18-14/h2-3,11-12H,4-10H2,1H3.
What are the key properties of 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one?
4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one has a molecular weight of 331.38 g/mol, XLogP of -0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]ethyl]morpholin-3-one is sourced from PubChem (CID 126920682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).