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

C16H16N8O2 — CID 46216571

IUPAC8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOCCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3)nc21
InChIInChI=1S/C16H16N8O2/c1-26-5-4-24-8-13(25)22-15-16(24)21-12(7-18-15)10-2-3-11(17-6-10)14-19-9-20-23-14/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,22,25)(H,19,20,23)
InChIKeyNRHQSISFDUSJJZ-UHFFFAOYSA-N
MW352.36 g/mol
LogP0.73
Rot. Bonds5

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

8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 46216571) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-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-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID46216571
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOCCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3)nc21
InChIInChI=1S/C16H16N8O2/c1-26-5-4-24-8-13(25)22-15-16(24)21-12(7-18-15)10-2-3-11(17-6-10)14-19-9-20-23-14/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,22,25)(H,19,20,23)
InChIKeyNRHQSISFDUSJJZ-UHFFFAOYSA-N
XLogP0.73
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-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-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 46216571) is 8-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is COCCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is NRHQSISFDUSJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c1-26-5-4-24-8-13(25)22-15-16(24)21-12(7-18-15)10-2-3-11(17-6-10)14-19-9-20-23-14/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,22,25)(H,19,20,23).
What are the key properties of 8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-(2-methoxyethyl)-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 352.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-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 46216571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).