3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline

C18H16N4 — CID 157282596

IUPAC3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
SMILESCc1cnc2c3cccnc3c3nc(C)c(C)c(C)c3c2n1
InChIInChI=1S/C18H16N4/c1-9-8-20-16-13-6-5-7-19-15(13)18-14(17(16)21-9)11(3)10(2)12(4)22-18/h5-8H,1-4H3
InChIKeyNCKMBZCFOWESIJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.96
Rot. Bonds

About 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline

3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline (PubChem CID 157282596) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
PubChem CID157282596
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
SMILESCc1cnc2c3cccnc3c3nc(C)c(C)c(C)c3c2n1
InChIInChI=1S/C18H16N4/c1-9-8-20-16-13-6-5-7-19-15(13)18-14(17(16)21-9)11(3)10(2)12(4)22-18/h5-8H,1-4H3
InChIKeyNCKMBZCFOWESIJ-UHFFFAOYSA-N
XLogP3.96
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.96
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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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
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
bis(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;hexakis(3,4,7,8-tetramethyl-1,10-phenanthroline)
CID 165088824
2,3,4,5,6,7-hexamethyl-1,8-phenanthroline
CID 171384241
6-methyl-10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
CID 11426561
4,10-dimethyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 165049809
3,4,5-trimethyl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 158374542
(5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline
CID 155477207
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
5,6-dimethyl-1,7-phenanthroline
CID 67494959
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
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

Frequently Asked Questions

What is the IUPAC name of 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline (CID 157282596) is 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline is Cc1cnc2c3cccnc3c3nc(C)c(C)c(C)c3c2n1.
What is the InChIKey of 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is NCKMBZCFOWESIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-9-8-20-16-13-6-5-7-19-15(13)18-14(17(16)21-9)11(3)10(2)12(4)22-18/h5-8H,1-4H3.
What are the key properties of 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline?
3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 288.35 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 157282596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).