1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione

C13H21N3O3 — CID 62927199

IUPAC1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione
SMILESCC(NCCn1ccn(C)c(=O)c1=O)C1CCCO1
InChIInChI=1S/C13H21N3O3/c1-10(11-4-3-9-19-11)14-5-6-16-8-7-15(2)12(17)13(16)18/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyMTYICAVSWWYUSL-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.30
Rot. Bonds5

About 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione

1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione (PubChem CID 62927199) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione
PubChem CID62927199
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione
SMILESCC(NCCn1ccn(C)c(=O)c1=O)C1CCCO1
InChIInChI=1S/C13H21N3O3/c1-10(11-4-3-9-19-11)14-5-6-16-8-7-15(2)12(17)13(16)18/h7-8,10-11,14H,3-6,9H2,1-2H3
InChIKeyMTYICAVSWWYUSL-UHFFFAOYSA-N
XLogP-0.30
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione 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

4-methyl-1-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridin-2-one
CID 55152176
4,4-dimethyl-1,1-dioxo-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]thiazetidin-3-one
CID 79887312
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 104531118
N-[2-(4,6-dichloroindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 103428056
N-[2-(3-methylindol-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62564636
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62575881
5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
CID 114397448
N-(2-indazol-1-ylethyl)-1-(oxolan-2-yl)ethanamine
CID 55088183
N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598642
N-[2-(cyclopropylmethoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62599763
N-[(5-bromofuran-2-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208465

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione (CID 62927199) is 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione is CC(NCCn1ccn(C)c(=O)c1=O)C1CCCO1.
What is the InChIKey of 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione?
The InChIKey is MTYICAVSWWYUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(11-4-3-9-19-11)14-5-6-16-8-7-15(2)12(17)13(16)18/h7-8,10-11,14H,3-6,9H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione?
1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione has a molecular weight of 267.33 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrazine-2,3-dione is sourced from PubChem (CID 62927199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).