1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one

C15H24N4O — CID 66208089

IUPAC1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one
SMILESCC1C2CNCC2CN1c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H24N4O/c1-10-12-8-16-7-11(12)9-18(10)13-14(20)19(6-5-17-13)15(2,3)4/h5-6,10-12,16H,7-9H2,1-4H3
InChIKeyOFUHUFGYXWFXLA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.04
Rot. Bonds1

About 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one

1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one (PubChem CID 66208089) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one
PubChem CID66208089
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one
SMILESCC1C2CNCC2CN1c1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C15H24N4O/c1-10-12-8-16-7-11(12)9-18(10)13-14(20)19(6-5-17-13)15(2,3)4/h5-6,10-12,16H,7-9H2,1-4H3
InChIKeyOFUHUFGYXWFXLA-UHFFFAOYSA-N
XLogP1.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one (CID 66208089) is 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one is CC1C2CNCC2CN1c1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one?
The InChIKey is OFUHUFGYXWFXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-12-8-16-7-11(12)9-18(10)13-14(20)19(6-5-17-13)15(2,3)4/h5-6,10-12,16H,7-9H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one?
1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazin-2-one is sourced from PubChem (CID 66208089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).