2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline

C16H12N4 — CID 11425448

IUPAC2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
SMILESCc1nc2c3ncccc3c3cccnc3c2nc1C
InChIInChI=1S/C16H12N4/c1-9-10(2)20-16-14-12(6-4-8-18-14)11-5-3-7-17-13(11)15(16)19-9/h3-8H,1-2H3
InChIKeyCMDDNHJJDHJINL-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.34
Rot. Bonds

About 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline

2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline (PubChem CID 11425448) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline.

Molecular Properties

Compound Name2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
PubChem CID11425448
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
SMILESCc1nc2c3ncccc3c3cccnc3c2nc1C
InChIInChI=1S/C16H12N4/c1-9-10(2)20-16-14-12(6-4-8-18-14)11-5-3-7-17-13(11)15(16)19-9/h3-8H,1-2H3
InChIKeyCMDDNHJJDHJINL-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_3', 'substructure': 'N/A'}

Analyze 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;tetrakis(2,3,4,5,6,7,8,9-octamethyl-1,10-phenanthroline);bis(ruthenium(2+))
CID 45256437
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile
CID 624748
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
CID 157282596
5,8-dimethyl-1,7-naphthyridine
CID 58593146
5,6-dimethyl-1,7-phenanthroline
CID 67494959
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
ethane;6,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 145351041

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline?
The IUPAC name of 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline (CID 11425448) is 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline.
What is the SMILES notation for 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline?
The canonical SMILES for 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline is Cc1nc2c3ncccc3c3cccnc3c2nc1C.
What is the InChIKey of 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline?
The InChIKey is CMDDNHJJDHJINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-9-10(2)20-16-14-12(6-4-8-18-14)11-5-3-7-17-13(11)15(16)19-9/h3-8H,1-2H3.
What are the key properties of 2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline?
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline 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-f][4,7]phenanthroline is sourced from PubChem (CID 11425448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).