3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C17H21N5O3 — CID 58298333

About 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 58298333) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
• PubChem CID: 58298333
• Molecular Formula: C17H21N5O3
• Molecular Weight: 343.39 g/mol
• Exact Mass: 343.16
• IUPAC Name: 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
• SMILES: COCCN1C(=O)CNc2ncc(-c3ccc(C(C)(C)O)nc3)nc21
• InChI: InChI=1S/C17H21N5O3/c1-17(2,24)13-5-4-11(8-18-13)12-9-19-15-16(21-12)22(6-7-25-3)14(23)10-20-15/h4-5,8-9,24H,6-7,10H2,1-3H3,(H,19,20)
• InChIKey: XSQAJVDTZWOBMX-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 100.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.39
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 58298333) is 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

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

The canonical SMILES for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is COCCN1C(=O)CNc2ncc(-c3ccc(C(C)(C)O)nc3)nc21.

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

The InChIKey is XSQAJVDTZWOBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-17(2,24)13-5-4-11(8-18-13)12-9-19-15-16(21-12)22(6-7-25-3)14(23)10-20-15/h4-5,8-9,24H,6-7,10H2,1-3H3,(H,19,20).

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

3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 343.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(2-methoxyethyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 58298333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).