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

C14H20N4O2 — CID 160769825

IUPAC5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(CN1C(=O)CNc2nccnc21)C1CCOCC1
InChIInChI=1S/C14H20N4O2/c1-10(11-2-6-20-7-3-11)9-18-12(19)8-17-13-14(18)16-5-4-15-13/h4-5,10-11H,2-3,6-9H2,1H3,(H,15,17)
InChIKeyRZDXKIPKBGSLPD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.30
Rot. Bonds3

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

5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 160769825) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID160769825
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCC(CN1C(=O)CNc2nccnc21)C1CCOCC1
InChIInChI=1S/C14H20N4O2/c1-10(11-2-6-20-7-3-11)9-18-12(19)8-17-13-14(18)16-5-4-15-13/h4-5,10-11H,2-3,6-9H2,1H3,(H,15,17)
InChIKeyRZDXKIPKBGSLPD-UHFFFAOYSA-N
XLogP1.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 160769825) is 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is CC(CN1C(=O)CNc2nccnc21)C1CCOCC1.
What is the InChIKey of 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is RZDXKIPKBGSLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(11-2-6-20-7-3-11)9-18-12(19)8-17-13-14(18)16-5-4-15-13/h4-5,10-11H,2-3,6-9H2,1H3,(H,15,17).
What are the key properties of 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 276.34 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)propyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 160769825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).