pyrazino[2,3-f][1,10]phenanthroline

C14H8N4 — CID 11765072

IUPACpyrazino[2,3-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C14H8N4/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14/h1-8H
InChIKeyIBOSPAWVGHGUAV-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.73
Rot. Bonds

About pyrazino[2,3-f][1,10]phenanthroline

pyrazino[2,3-f][1,10]phenanthroline (PubChem CID 11765072) has the molecular formula C14H8N4 and a molecular weight of 232.25 g/mol. Its IUPAC name is pyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Namepyrazino[2,3-f][1,10]phenanthroline
PubChem CID11765072
Molecular FormulaC14H8N4
Molecular Weight232.25 g/mol
Exact Mass232.07
IUPAC Namepyrazino[2,3-f][1,10]phenanthroline
SMILESc1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C14H8N4/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14/h1-8H
InChIKeyIBOSPAWVGHGUAV-UHFFFAOYSA-N
XLogP2.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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][1,10]phenanthroline?
The IUPAC name of pyrazino[2,3-f][1,10]phenanthroline (CID 11765072) is pyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for pyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for pyrazino[2,3-f][1,10]phenanthroline is c1cnc2c(c1)c1nccnc1c1cccnc12.
What is the InChIKey of pyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is IBOSPAWVGHGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14/h1-8H.
What are the key properties of pyrazino[2,3-f][1,10]phenanthroline?
pyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 232.25 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 11765072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).