2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C17H20N4O2 — CID 171398245

IUPAC2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCn1c(CN2CCN3C(=O)CNC(=O)C3C2)cc2ccccc21
InChIInChI=1S/C17H20N4O2/c1-19-13(8-12-4-2-3-5-14(12)19)10-20-6-7-21-15(11-20)17(23)18-9-16(21)22/h2-5,8,15H,6-7,9-11H2,1H3,(H,18,23)
InChIKeyXKXGXIAVOVKMSL-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.32
Rot. Bonds2

About 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 171398245) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID171398245
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCn1c(CN2CCN3C(=O)CNC(=O)C3C2)cc2ccccc21
InChIInChI=1S/C17H20N4O2/c1-19-13(8-12-4-2-3-5-14(12)19)10-20-6-7-21-15(11-20)17(23)18-9-16(21)22/h2-5,8,15H,6-7,9-11H2,1H3,(H,18,23)
InChIKeyXKXGXIAVOVKMSL-UHFFFAOYSA-N
XLogP0.32
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 171398245) is 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is Cn1c(CN2CCN3C(=O)CNC(=O)C3C2)cc2ccccc21.
What is the InChIKey of 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is XKXGXIAVOVKMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-19-13(8-12-4-2-3-5-14(12)19)10-20-6-7-21-15(11-20)17(23)18-9-16(21)22/h2-5,8,15H,6-7,9-11H2,1H3,(H,18,23).
What are the key properties of 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 312.37 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindol-2-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 171398245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).