4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one

C14H11N7O — CID 90099550

IUPAC4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
SMILESO=C1C(n2ccnn2)Nc2nccnc2N1c1ccccc1
InChIInChI=1S/C14H11N7O/c22-14-13(20-9-8-17-19-20)18-11-12(16-7-6-15-11)21(14)10-4-2-1-3-5-10/h1-9,13H,(H,15,18)
InChIKeyYHRMZWRZEIPBIJ-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.36
Rot. Bonds2

About 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one

4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one (PubChem CID 90099550) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
PubChem CID90099550
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one
SMILESO=C1C(n2ccnn2)Nc2nccnc2N1c1ccccc1
InChIInChI=1S/C14H11N7O/c22-14-13(20-9-8-17-19-20)18-11-12(16-7-6-15-11)21(14)10-4-2-1-3-5-10/h1-9,13H,(H,15,18)
InChIKeyYHRMZWRZEIPBIJ-UHFFFAOYSA-N
XLogP1.36
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-(triazol-1-yl)piperidine
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CID 166000028
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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one?
The IUPAC name of 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one (CID 90099550) is 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one is O=C1C(n2ccnn2)Nc2nccnc2N1c1ccccc1.
What is the InChIKey of 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one?
The InChIKey is YHRMZWRZEIPBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c22-14-13(20-9-8-17-19-20)18-11-12(16-7-6-15-11)21(14)10-4-2-1-3-5-10/h1-9,13H,(H,15,18).
What are the key properties of 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one?
4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one has a molecular weight of 293.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(triazol-1-yl)-1,2-dihydropyrazino[2,3-b]pyrazin-3-one is sourced from PubChem (CID 90099550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).