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

C16H18N8O2 — CID 158826689

IUPAC8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
SMILESCOCCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3)nc21.[H][H]
InChIInChI=1S/C16H16N8O2.H2/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);1H
InChIKeyIWNSQRZGNKQTCO-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.97
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;molecular hydrogen

8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen (PubChem CID 158826689) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 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 hydrogen.

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;molecular hydrogen
PubChem CID158826689
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
SMILESCOCCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3)nc21.[H][H]
InChIInChI=1S/C16H16N8O2.H2/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);1H
InChIKeyIWNSQRZGNKQTCO-UHFFFAOYSA-N
XLogP0.97
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.97
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;molecular hydrogen?
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;molecular hydrogen (CID 158826689) 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 hydrogen.
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;molecular hydrogen?
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;molecular hydrogen is COCCN1CC(=O)Nc2ncc(-c3ccc(-c4ncn[nH]4)nc3)nc21.[H][H].
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;molecular hydrogen?
The InChIKey is IWNSQRZGNKQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2.H2/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);1H.
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;molecular hydrogen?
8-(2-methoxyethyl)-2-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen has a molecular weight of 354.37 g/mol, XLogP of 0.97, 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;molecular hydrogen is sourced from PubChem (CID 158826689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).