2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

C20H25N5O3 — CID 66715890

About 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 66715890) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
• PubChem CID: 66715890
• Molecular Formula: C20H25N5O3
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.20
• IUPAC Name: 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
• SMILES: O=C1CN(CCC2CCOCC2)c2nc(-c3ccc(CCO)nc3)cnc2N1
• InChI: InChI=1S/C20H25N5O3/c26-8-4-16-2-1-15(11-21-16)17-12-22-19-20(23-17)25(13-18(27)24-19)7-3-14-5-9-28-10-6-14/h1-2,11-12,14,26H,3-10,13H2,(H,22,24,27)
• InChIKey: XNJQWCHSNBJVMH-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 100.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?

The IUPAC name of 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 66715890) is 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

What is the SMILES notation for 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?

The canonical SMILES for 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CN(CCC2CCOCC2)c2nc(-c3ccc(CCO)nc3)cnc2N1.

What is the InChIKey of 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?

The InChIKey is XNJQWCHSNBJVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-8-4-16-2-1-15(11-21-16)17-12-22-19-20(23-17)25(13-18(27)24-19)7-3-14-5-9-28-10-6-14/h1-2,11-12,14,26H,3-10,13H2,(H,22,24,27).

What are the key properties of 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?

2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 383.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-hydroxyethyl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 66715890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).