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

C21H24N8O2 — CID 59453047

IUPAC3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2
InChIInChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28)
InChIKeyVLSSMLSPCKXABU-UHFFFAOYSA-N
MW420.48 g/mol
LogP2.21
Rot. Bonds5

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

3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 59453047) has the molecular formula C21H24N8O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID59453047
Molecular FormulaC21H24N8O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC Name3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2
InChIInChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28)
InChIKeyVLSSMLSPCKXABU-UHFFFAOYSA-N
XLogP2.21
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 59453047) is 3-[2-methyl-6-(1H-1,2,4-triazol-5-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-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1nc(-c2ncn[nH]2)ccc1-c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2.
What is the InChIKey of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is VLSSMLSPCKXABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28).
What are the key properties of 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 420.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 59453047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).