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

C16H16N8O — CID 46214389

IUPAC8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3C)nc21
InChIInChI=1S/C16H16N8O/c1-3-24-7-13(25)22-15-16(24)21-12(6-17-15)10-4-5-11(20-9(10)2)14-18-8-19-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,22,25)(H,18,19,23)
InChIKeyRGGGKLOHVQCLKI-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.41
Rot. Bonds3

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

8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 46214389) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is 8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID46214389
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3C)nc21
InChIInChI=1S/C16H16N8O/c1-3-24-7-13(25)22-15-16(24)21-12(6-17-15)10-4-5-11(20-9(10)2)14-18-8-19-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,22,25)(H,18,19,23)
InChIKeyRGGGKLOHVQCLKI-UHFFFAOYSA-N
XLogP1.41
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one (CID 46214389) is 8-ethyl-2-[2-methyl-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-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is CCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3C)nc21.
What is the InChIKey of 8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is RGGGKLOHVQCLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c1-3-24-7-13(25)22-15-16(24)21-12(6-17-15)10-4-5-11(20-9(10)2)14-18-8-19-23-14/h4-6,8H,3,7H2,1-2H3,(H,17,22,25)(H,18,19,23).
What are the key properties of 8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one?
8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 336.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 46214389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).