2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C15H20N4O2 — CID 103057808

IUPAC2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCNc1cnc(CN2C(=O)C3CC(C)CC3C2=O)cn1
InChIInChI=1S/C15H20N4O2/c1-3-16-13-7-17-10(6-18-13)8-19-14(20)11-4-9(2)5-12(11)15(19)21/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,16,18)
InChIKeySCUQSYQCVYQSDM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.44
Rot. Bonds4

About 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 103057808) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID103057808
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESCCNc1cnc(CN2C(=O)C3CC(C)CC3C2=O)cn1
InChIInChI=1S/C15H20N4O2/c1-3-16-13-7-17-10(6-18-13)8-19-14(20)11-4-9(2)5-12(11)15(19)21/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,16,18)
InChIKeySCUQSYQCVYQSDM-UHFFFAOYSA-N
XLogP1.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 103057808) is 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is CCNc1cnc(CN2C(=O)C3CC(C)CC3C2=O)cn1.
What is the InChIKey of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is SCUQSYQCVYQSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-16-13-7-17-10(6-18-13)8-19-14(20)11-4-9(2)5-12(11)15(19)21/h6-7,9,11-12H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 288.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 103057808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).