5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile

C13H8N6 — CID 70645411

IUPAC5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile
SMILESCN1c2ccccc2Nc2nc(C#N)c(C#N)nc21
InChIInChI=1S/C13H8N6/c1-19-11-5-3-2-4-8(11)16-12-13(19)18-10(7-15)9(6-14)17-12/h2-5H,1H3,(H,16,17)
InChIKeyJWQMKDMHYZRVOK-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.04
Rot. Bonds

About 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile

5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile (PubChem CID 70645411) has the molecular formula C13H8N6 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile
PubChem CID70645411
Molecular FormulaC13H8N6
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile
SMILESCN1c2ccccc2Nc2nc(C#N)c(C#N)nc21
InChIInChI=1S/C13H8N6/c1-19-11-5-3-2-4-8(11)16-12-13(19)18-10(7-15)9(6-14)17-12/h2-5H,1H3,(H,16,17)
InChIKeyJWQMKDMHYZRVOK-UHFFFAOYSA-N
XLogP2.04
TPSA88.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile?
The IUPAC name of 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile (CID 70645411) is 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile.
What is the SMILES notation for 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile?
The canonical SMILES for 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile is CN1c2ccccc2Nc2nc(C#N)c(C#N)nc21.
What is the InChIKey of 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile?
The InChIKey is JWQMKDMHYZRVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6/c1-19-11-5-3-2-4-8(11)16-12-13(19)18-10(7-15)9(6-14)17-12/h2-5H,1H3,(H,16,17).
What are the key properties of 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile?
5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile has a molecular weight of 248.25 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10H-pyrazino[2,3-b]quinoxaline-2,3-dicarbonitrile is sourced from PubChem (CID 70645411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).