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

C22H25N7O2 — CID 154346955

IUPAC2-[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
SMILESCc1cc(-c2ncn[nH]2)ccc1C1Nc2nccnc2N(CCC2CCOCC2)C1=O
InChIInChI=1S/C22H25N7O2/c1-14-12-16(19-25-13-26-28-19)2-3-17(14)18-22(30)29(9-4-15-5-10-31-11-6-15)21-20(27-18)23-7-8-24-21/h2-3,7-8,12-13,15,18H,4-6,9-11H2,1H3,(H,23,27)(H,25,26,28)
InChIKeyDTWWSJZOBLQMCA-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.89
Rot. Bonds5

About 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

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 (PubChem CID 154346955) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID154346955
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-[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
SMILESCc1cc(-c2ncn[nH]2)ccc1C1Nc2nccnc2N(CCC2CCOCC2)C1=O
InChIInChI=1S/C22H25N7O2/c1-14-12-16(19-25-13-26-28-19)2-3-17(14)18-22(30)29(9-4-15-5-10-31-11-6-15)21-20(27-18)23-7-8-24-21/h2-3,7-8,12-13,15,18H,4-6,9-11H2,1H3,(H,23,27)(H,25,26,28)
InChIKeyDTWWSJZOBLQMCA-UHFFFAOYSA-N
XLogP2.89
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dimethyl-5-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-1-[2-(oxan-4-yl)ethyl]pyrazine
CID 70654147
molecular hydrogen;8-[2-(oxan-4-yl)ethyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 159876397
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
1-[2-(oxan-4-yl)ethyl]-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
CID 90101638
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
(2S)-6-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-methyl-4-[2-(oxan-4-yl)ethyl]-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
CID 59453120
2-(2-ethyloxan-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 122138735
3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453066
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-[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
1,3,3-trimethyl-5-[2-(oxolan-2-ylmethyl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]indol-2-one
CID 166375087
1-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-3-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]urea
CID 166210500

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ncn[nH]2)ccc1C1Nc2nccnc2N(CCC2CCOCC2)C1=O.
What is the InChIKey of 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?
The InChIKey is DTWWSJZOBLQMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-14-12-16(19-25-13-26-28-19)2-3-17(14)18-22(30)29(9-4-15-5-10-31-11-6-15)21-20(27-18)23-7-8-24-21/h2-3,7-8,12-13,15,18H,4-6,9-11H2,1H3,(H,23,27)(H,25,26,28).
What are the key properties of 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?
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 has a molecular weight of 419.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154346955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).