5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C10H14N4O2 — CID 66716298

IUPAC5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOCCCN1C(=O)CNc2nccnc21
InChIInChI=1S/C10H14N4O2/c1-16-6-2-5-14-8(15)7-13-9-10(14)12-4-3-11-9/h3-4H,2,5-7H2,1H3,(H,11,13)
InChIKeyXRUAUXANKJIIFO-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.27
Rot. Bonds4

About 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 66716298) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID66716298
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOCCCN1C(=O)CNc2nccnc21
InChIInChI=1S/C10H14N4O2/c1-16-6-2-5-14-8(15)7-13-9-10(14)12-4-3-11-9/h3-4H,2,5-7H2,1H3,(H,11,13)
InChIKeyXRUAUXANKJIIFO-UHFFFAOYSA-N
XLogP0.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 66716298) is 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is COCCCN1C(=O)CNc2nccnc21.
What is the InChIKey of 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is XRUAUXANKJIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-16-6-2-5-14-8(15)7-13-9-10(14)12-4-3-11-9/h3-4H,2,5-7H2,1H3,(H,11,13).
What are the key properties of 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 222.25 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 66716298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).