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

C22H26N8O2 — CID 66607596

IUPAC3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2nncn2C2CCCCO2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2
InChIInChI=1S/C22H26N8O2/c1-13(2)30-18(31)11-24-20-22(30)27-17(10-23-20)15-7-8-16(26-14(15)3)21-28-25-12-29(21)19-6-4-5-9-32-19/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3,(H,23,24)
InChIKeyMFGREXSVPPGQKE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.97
Rot. Bonds4

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

3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 66607596) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID66607596
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1nc(-c2nncn2C2CCCCO2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2
InChIInChI=1S/C22H26N8O2/c1-13(2)30-18(31)11-24-20-22(30)27-17(10-23-20)15-7-8-16(26-14(15)3)21-28-25-12-29(21)19-6-4-5-9-32-19/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3,(H,23,24)
InChIKeyMFGREXSVPPGQKE-UHFFFAOYSA-N
XLogP2.97
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;hydrochloride
CID 67153895
4-ethyl-1,2-dimethyl-6-[2-methyl-6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-2H-pyrazino[2,3-b]pyrazin-3-one
CID 134259421
8-[5-methyl-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 175611779
2-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-8-[2-(oxan-4-yl)ethyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 46215563
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453124
5-cyclohexyl-3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66604035
3-iodo-5-methyl-1-[(2R)-oxan-2-yl]pyrazolo[3,4-b]pyrazine
CID 125418917
ethane;4-methyl-1-(oxolan-2-yl)-5-propan-2-ylimidazole
CID 176927418
2-[2-(oxan-2-yl)pyrazol-3-yl]-5,6,7,8-tetrahydroquinoline
CID 159173812
2-methoxy-6-methyl-9-(oxan-2-yl)purine
CID 133059804
5-ethoxy-2-[2-(oxan-2-yl)pyrazol-3-yl]pyridine
CID 130360539

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 66607596) is 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is Cc1nc(-c2nncn2C2CCCCO2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2.
What is the InChIKey of 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is MFGREXSVPPGQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2/c1-13(2)30-18(31)11-24-20-22(30)27-17(10-23-20)15-7-8-16(26-14(15)3)21-28-25-12-29(21)19-6-4-5-9-32-19/h7-8,10,12-13,19H,4-6,9,11H2,1-3H3,(H,23,24).
What are the key properties of 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 434.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[4-(oxan-2-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-5-propan-2-yl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 66607596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).