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

C21H26N8O2 — CID 86304077

IUPAC3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCN1CNN=C1c1ncccc1-c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2
InChIInChI=1S/C21H26N8O2/c1-28-13-25-27-20(28)18-15(3-2-7-22-18)16-11-23-19-21(26-16)29(17(30)12-24-19)8-4-14-5-9-31-10-6-14/h2-3,7,11,14,25H,4-6,8-10,12-13H2,1H3,(H,23,24)
InChIKeyJQJDYZQPEDBVPY-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.27
Rot. Bonds5

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

3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 86304077) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID86304077
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC Name3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCN1CNN=C1c1ncccc1-c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2
InChIInChI=1S/C21H26N8O2/c1-28-13-25-27-20(28)18-15(3-2-7-22-18)16-11-23-19-21(26-16)29(17(30)12-24-19)8-4-14-5-9-31-10-6-14/h2-3,7,11,14,25H,4-6,8-10,12-13H2,1H3,(H,23,24)
InChIKeyJQJDYZQPEDBVPY-UHFFFAOYSA-N
XLogP1.27
TPSA107.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 86304077) is 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is CN1CNN=C1c1ncccc1-c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2.
What is the InChIKey of 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is JQJDYZQPEDBVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-28-13-25-27-20(28)18-15(3-2-7-22-18)16-11-23-19-21(26-16)29(17(30)12-24-19)8-4-14-5-9-31-10-6-14/h2-3,7,11,14,25H,4-6,8-10,12-13H2,1H3,(H,23,24).
What are the key properties of 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 422.49 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 86304077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).