(3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C17H20N4O — CID 44516297

IUPAC(3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1ccc(COc2cncc(N3C[C@H]4CNC[C@H]4C3)n2)cc1
InChIInChI=1S/C17H20N4O/c1-2-4-13(5-3-1)12-22-17-9-19-8-16(20-17)21-10-14-6-18-7-15(14)11-21/h1-5,8-9,14-15,18H,6-7,10-12H2/t14-,15+
InChIKeyTUKGSZUVGBXOHF-GASCZTMLSA-N
MW296.37 g/mol
LogP1.71
Rot. Bonds4

About (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

(3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 44516297) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID44516297
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESc1ccc(COc2cncc(N3C[C@H]4CNC[C@H]4C3)n2)cc1
InChIInChI=1S/C17H20N4O/c1-2-4-13(5-3-1)12-22-17-9-19-8-16(20-17)21-10-14-6-18-7-15(14)11-21/h1-5,8-9,14-15,18H,6-7,10-12H2/t14-,15+
InChIKeyTUKGSZUVGBXOHF-GASCZTMLSA-N
XLogP1.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole 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 (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 44516297) is (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is c1ccc(COc2cncc(N3C[C@H]4CNC[C@H]4C3)n2)cc1.
What is the InChIKey of (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is TUKGSZUVGBXOHF-GASCZTMLSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-4-13(5-3-1)12-22-17-9-19-8-16(20-17)21-10-14-6-18-7-15(14)11-21/h1-5,8-9,14-15,18H,6-7,10-12H2/t14-,15+.
What are the key properties of (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
(3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 296.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-(6-phenylmethoxypyrazin-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 44516297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).