pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile

C16H6N6 — CID 624748

IUPACpyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile
SMILESN#Cc1nc2c3ncccc3c3cccnc3c2nc1C#N
InChIInChI=1S/C16H6N6/c17-7-11-12(8-18)22-16-14-10(4-2-6-20-14)9-3-1-5-19-13(9)15(16)21-11/h1-6H
InChIKeyORJFLARTQGRVRL-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.47
Rot. Bonds

About pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile

pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile (PubChem CID 624748) has the molecular formula C16H6N6 and a molecular weight of 282.27 g/mol. Its IUPAC name is pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile.

Molecular Properties

Compound Namepyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile
PubChem CID624748
Molecular FormulaC16H6N6
Molecular Weight282.27 g/mol
Exact Mass282.07
IUPAC Namepyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile
SMILESN#Cc1nc2c3ncccc3c3cccnc3c2nc1C#N
InChIInChI=1S/C16H6N6/c17-7-11-12(8-18)22-16-14-10(4-2-6-20-14)9-3-1-5-19-13(9)15(16)21-11/h1-6H
InChIKeyORJFLARTQGRVRL-UHFFFAOYSA-N
XLogP2.47
TPSA99.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile?
The IUPAC name of pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile (CID 624748) is pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile.
What is the SMILES notation for pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile?
The canonical SMILES for pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile is N#Cc1nc2c3ncccc3c3cccnc3c2nc1C#N.
What is the InChIKey of pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile?
The InChIKey is ORJFLARTQGRVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6N6/c17-7-11-12(8-18)22-16-14-10(4-2-6-20-14)9-3-1-5-19-13(9)15(16)21-11/h1-6H.
What are the key properties of pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile?
pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile has a molecular weight of 282.27 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile is sourced from PubChem (CID 624748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).