2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one

C12H17N3O2 — CID 79045873

IUPAC2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)(C(=O)c1cnccn1)N1CCOCC1
InChIInChI=1S/C12H17N3O2/c1-12(2,15-5-7-17-8-6-15)11(16)10-9-13-3-4-14-10/h3-4,9H,5-8H2,1-2H3
InChIKeyASBFZCBGSVCAKH-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.77
Rot. Bonds3

About 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one

2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one (PubChem CID 79045873) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one
PubChem CID79045873
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one
SMILESCC(C)(C(=O)c1cnccn1)N1CCOCC1
InChIInChI=1S/C12H17N3O2/c1-12(2,15-5-7-17-8-6-15)11(16)10-9-13-3-4-14-10/h3-4,9H,5-8H2,1-2H3
InChIKeyASBFZCBGSVCAKH-UHFFFAOYSA-N
XLogP0.77
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-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 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one (CID 79045873) is 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one is CC(C)(C(=O)c1cnccn1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one?
The InChIKey is ASBFZCBGSVCAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2,15-5-7-17-8-6-15)11(16)10-9-13-3-4-14-10/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one?
2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one has a molecular weight of 235.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 79045873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).