8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

C20H22N8O2 — CID 46215210

IUPAC8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CCC2CCOCC2)c2nc(-c3ccc(-c4ncn[nH]4)nc3)cnc2N1
InChIInChI=1S/C20H22N8O2/c29-17-11-28(6-3-13-4-7-30-8-5-13)20-19(26-17)22-10-16(25-20)14-1-2-15(21-9-14)18-23-12-24-27-18/h1-2,9-10,12-13H,3-8,11H2,(H,22,26,29)(H,23,24,27)
InChIKeyRBCVZOQQBMCWAL-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.90
Rot. Bonds5

About 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one

8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 46215210) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID46215210
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(CCC2CCOCC2)c2nc(-c3ccc(-c4ncn[nH]4)nc3)cnc2N1
InChIInChI=1S/C20H22N8O2/c29-17-11-28(6-3-13-4-7-30-8-5-13)20-19(26-17)22-10-16(25-20)14-1-2-15(21-9-14)18-23-12-24-27-18/h1-2,9-10,12-13H,3-8,11H2,(H,22,26,29)(H,23,24,27)
InChIKeyRBCVZOQQBMCWAL-UHFFFAOYSA-N
XLogP1.90
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 46215210) is 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is O=C1CN(CCC2CCOCC2)c2nc(-c3ccc(-c4ncn[nH]4)nc3)cnc2N1.
What is the InChIKey of 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is RBCVZOQQBMCWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c29-17-11-28(6-3-13-4-7-30-8-5-13)20-19(26-17)22-10-16(25-20)14-1-2-15(21-9-14)18-23-12-24-27-18/h1-2,9-10,12-13H,3-8,11H2,(H,22,26,29)(H,23,24,27).
What are the key properties of 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 406.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(oxan-4-yl)ethyl]-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 46215210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).