5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile

C19H12N8 — CID 162729495

IUPAC5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile
SMILESCCC(C)c1c2nc(C#N)c(C#N)nc2c(C)c2nc(C#N)c(C#N)nc12
InChIInChI=1S/C19H12N8/c1-4-9(2)15-18-16(24-11(5-20)13(7-22)26-18)10(3)17-19(15)27-14(8-23)12(6-21)25-17/h9H,4H2,1-3H3
InChIKeyCZDRZBRWLYZEJT-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.88
Rot. Bonds2

About 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile

5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile (PubChem CID 162729495) has the molecular formula C19H12N8 and a molecular weight of 352.36 g/mol. Its IUPAC name is 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile.

Molecular Properties

Compound Name5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile
PubChem CID162729495
Molecular FormulaC19H12N8
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile
SMILESCCC(C)c1c2nc(C#N)c(C#N)nc2c(C)c2nc(C#N)c(C#N)nc12
InChIInChI=1S/C19H12N8/c1-4-9(2)15-18-16(24-11(5-20)13(7-22)26-18)10(3)17-19(15)27-14(8-23)12(6-21)25-17/h9H,4H2,1-3H3
InChIKeyCZDRZBRWLYZEJT-UHFFFAOYSA-N
XLogP2.88
TPSA146.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile?
The IUPAC name of 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile (CID 162729495) is 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile.
What is the SMILES notation for 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile?
The canonical SMILES for 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile is CCC(C)c1c2nc(C#N)c(C#N)nc2c(C)c2nc(C#N)c(C#N)nc12.
What is the InChIKey of 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile?
The InChIKey is CZDRZBRWLYZEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N8/c1-4-9(2)15-18-16(24-11(5-20)13(7-22)26-18)10(3)17-19(15)27-14(8-23)12(6-21)25-17/h9H,4H2,1-3H3.
What are the key properties of 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile?
5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile has a molecular weight of 352.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile is sourced from PubChem (CID 162729495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).