2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

C29H27N3O2 — CID 171398177

About 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398177) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• PubChem CID: 171398177
• Molecular Formula: C29H27N3O2
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.21
• IUPAC Name: 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
• SMILES: O=C1C2CN(Cc3ccc4ccccc4c3)CCN2C(=O)CN1Cc1cccc2ccccc12
• InChI: InChI=1S/C29H27N3O2/c33-28-20-31(18-25-10-5-9-23-7-3-4-11-26(23)25)29(34)27-19-30(14-15-32(27)28)17-21-12-13-22-6-1-2-8-24(22)16-21/h1-13,16,27H,14-15,17-20H2
• InChIKey: WRFMZXHBEACKNP-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The IUPAC name of 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398177) is 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The canonical SMILES for 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is O=C1C2CN(Cc3ccc4ccccc4c3)CCN2C(=O)CN1Cc1cccc2ccccc12.

What is the InChIKey of 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

The InChIKey is WRFMZXHBEACKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-28-20-31(18-25-10-5-9-23-7-3-4-11-26(23)25)29(34)27-19-30(14-15-32(27)28)17-21-12-13-22-6-1-2-8-24(22)16-21/h1-13,16,27H,14-15,17-20H2.

What are the key properties of 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?

2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 449.55 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).