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

C14H11N7O — CID 90099434

IUPAC5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(c2ncn[nH]2)c2nccnc2N1c1ccccc1
InChIInChI=1S/C14H11N7O/c22-11-8-20(14-17-9-18-19-14)12-13(16-7-6-15-12)21(11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18,19)
InChIKeyPZKSGDNBKPXDLF-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.41
Rot. Bonds2

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

5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one (PubChem CID 90099434) has the molecular formula C14H11N7O and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one
PubChem CID90099434
Molecular FormulaC14H11N7O
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one
SMILESO=C1CN(c2ncn[nH]2)c2nccnc2N1c1ccccc1
InChIInChI=1S/C14H11N7O/c22-11-8-20(14-17-9-18-19-14)12-13(16-7-6-15-12)21(11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18,19)
InChIKeyPZKSGDNBKPXDLF-UHFFFAOYSA-N
XLogP1.41
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one (CID 90099434) is 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one is O=C1CN(c2ncn[nH]2)c2nccnc2N1c1ccccc1.
What is the InChIKey of 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one?
The InChIKey is PZKSGDNBKPXDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O/c22-11-8-20(14-17-9-18-19-14)12-13(16-7-6-15-12)21(11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18,19).
What are the key properties of 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one?
5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one has a molecular weight of 293.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-(1H-1,2,4-triazol-5-yl)-7H-pyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 90099434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).