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

C19H23N5O3 — CID 59453083

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

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453083) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
• PubChem CID: 59453083
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
• SMILES: CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)CC(=O)N3)cn1
• InChI: InChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(22-14)24(11-16(25)23-17)13-5-7-27-8-6-13/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,23,25)
• InChIKey: IBHHJGZOOHWZKC-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 100.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453083) is 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

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

The canonical SMILES for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)CC(=O)N3)cn1.

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

The InChIKey is IBHHJGZOOHWZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-19(2,26)15-4-3-12(9-20-15)14-10-21-17-18(22-14)24(11-16(25)23-17)13-5-7-27-8-6-13/h3-4,9-10,13,26H,5-8,11H2,1-2H3,(H,21,23,25).

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

2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 369.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).