2,3-dimethylpyrazino[2,3-b]phenazine

C16H12N4 — CID 101041837

IUPAC2,3-dimethylpyrazino[2,3-b]phenazine
SMILESCc1nc2cc3nc4ccccc4nc3cc2nc1C
InChIInChI=1S/C16H12N4/c1-9-10(2)18-14-8-16-15(7-13(14)17-9)19-11-5-3-4-6-12(11)20-16/h3-8H,1-2H3
InChIKeyMANHBUITBQXFJZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.34
Rot. Bonds

About 2,3-dimethylpyrazino[2,3-b]phenazine

2,3-dimethylpyrazino[2,3-b]phenazine (PubChem CID 101041837) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,3-dimethylpyrazino[2,3-b]phenazine.

Molecular Properties

Compound Name2,3-dimethylpyrazino[2,3-b]phenazine
PubChem CID101041837
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2,3-dimethylpyrazino[2,3-b]phenazine
SMILESCc1nc2cc3nc4ccccc4nc3cc2nc1C
InChIInChI=1S/C16H12N4/c1-9-10(2)18-14-8-16-15(7-13(14)17-9)19-11-5-3-4-6-12(11)20-16/h3-8H,1-2H3
InChIKeyMANHBUITBQXFJZ-UHFFFAOYSA-N
XLogP3.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,3-dimethylpyrazino[2,3-b]phenazine?
The IUPAC name of 2,3-dimethylpyrazino[2,3-b]phenazine (CID 101041837) is 2,3-dimethylpyrazino[2,3-b]phenazine.
What is the SMILES notation for 2,3-dimethylpyrazino[2,3-b]phenazine?
The canonical SMILES for 2,3-dimethylpyrazino[2,3-b]phenazine is Cc1nc2cc3nc4ccccc4nc3cc2nc1C.
What is the InChIKey of 2,3-dimethylpyrazino[2,3-b]phenazine?
The InChIKey is MANHBUITBQXFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-9-10(2)18-14-8-16-15(7-13(14)17-9)19-11-5-3-4-6-12(11)20-16/h3-8H,1-2H3.
What are the key properties of 2,3-dimethylpyrazino[2,3-b]phenazine?
2,3-dimethylpyrazino[2,3-b]phenazine has a molecular weight of 260.30 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrazino[2,3-b]phenazine is sourced from PubChem (CID 101041837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).