1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one

C11H19N3O2 — CID 104577036

IUPAC1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCOC(C)C)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-14-7-5-12-10(11(14)15)13-6-8-16-9(2)3/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyVRFFLVBXXONFGJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds6

About 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one

1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one (PubChem CID 104577036) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
PubChem CID104577036
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCOC(C)C)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-14-7-5-12-10(11(14)15)13-6-8-16-9(2)3/h5,7,9H,4,6,8H2,1-3H3,(H,12,13)
InChIKeyVRFFLVBXXONFGJ-UHFFFAOYSA-N
XLogP1.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-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

3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
3-[(5-chloro-4-methylpentyl)amino]-1-ethylpyrazin-2-one
CID 106154553
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
3-[2-(3-methylbutoxy)ethylamino]-1-propylpyrazin-2-one
CID 62927925
3-[3-(2-aminoethoxy)propylamino]-1-ethylpyrazin-2-one
CID 114171621
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
1-ethyl-3-[[2-methyl-3-(methylamino)propyl]amino]pyrazin-2-one
CID 115303205
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
1-ethyl-3-(2-phenylsulfanylethylamino)pyrazin-2-one
CID 62939167
1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
CID 62927574
methyl 6-[(4-ethyl-3-oxopyrazin-2-yl)amino]hexanoate
CID 62927654

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one (CID 104577036) is 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one is CCn1ccnc(NCCOC(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one?
The InChIKey is VRFFLVBXXONFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-14-7-5-12-10(11(14)15)13-6-8-16-9(2)3/h5,7,9H,4,6,8H2,1-3H3,(H,12,13).
What are the key properties of 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one?
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one is sourced from PubChem (CID 104577036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).