5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one

C20H20FN7O2 — CID 154271825

IUPAC5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one
SMILESCc1c(N2C(=O)CN(C3CCOCC3)c3nccnc32)ccc(-c2ncn[nH]2)c1F
InChIInChI=1S/C20H20FN7O2/c1-12-15(3-2-14(17(12)21)18-24-11-25-26-18)28-16(29)10-27(13-4-8-30-9-5-13)19-20(28)23-7-6-22-19/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,24,25,26)
InChIKeyCETKXLVMKIQPOQ-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.37
Rot. Bonds3

About 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one

5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one (PubChem CID 154271825) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one
PubChem CID154271825
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one
SMILESCc1c(N2C(=O)CN(C3CCOCC3)c3nccnc32)ccc(-c2ncn[nH]2)c1F
InChIInChI=1S/C20H20FN7O2/c1-12-15(3-2-14(17(12)21)18-24-11-25-26-18)28-16(29)10-27(13-4-8-30-9-5-13)19-20(28)23-7-6-22-19/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,24,25,26)
InChIKeyCETKXLVMKIQPOQ-UHFFFAOYSA-N
XLogP2.37
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

8-cyclohexyl-2-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66603686
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
1-(oxan-4-yl)-1,4-diazepane-2,5-dione
CID 64960879
2-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
CID 154346955
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
5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338818
6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-4-(oxan-4-ylmethyl)spiro[1H-pyrazino[2,3-b]pyrazine-3,1'-cyclobutane]-2-one;molecular hydrogen
CID 158185285
ethane;5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338817
N-(4-methylpyrimidin-2-yl)-9-(oxan-4-yl)-5-thia-3,9,11,12-tetrazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 71666867
5-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
CID 164903225
2-[2-(1H-1,2,4-triazol-5-yl)phenyl]isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one (CID 154271825) is 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one is Cc1c(N2C(=O)CN(C3CCOCC3)c3nccnc32)ccc(-c2ncn[nH]2)c1F.
What is the InChIKey of 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one?
The InChIKey is CETKXLVMKIQPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-12-15(3-2-14(17(12)21)18-24-11-25-26-18)28-16(29)10-27(13-4-8-30-9-5-13)19-20(28)23-7-6-22-19/h2-3,6-7,11,13H,4-5,8-10H2,1H3,(H,24,25,26).
What are the key properties of 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one?
5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one has a molecular weight of 409.43 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-8-(oxan-4-yl)-7H-pyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 154271825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).