3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine

C17H14N2 — CID 166011179

IUPAC3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine
SMILESCC1=CNC2C(=N1)c1ccccc1-c1ccccc12
InChIInChI=1S/C17H14N2/c1-11-10-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)19-11/h2-10,16,18H,1H3
InChIKeyXNLKNLIRNVJETL-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.66
Rot. Bonds

About 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine

3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine (PubChem CID 166011179) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine
PubChem CID166011179
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine
SMILESCC1=CNC2C(=N1)c1ccccc1-c1ccccc12
InChIInChI=1S/C17H14N2/c1-11-10-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)19-11/h2-10,16,18H,1H3
InChIKeyXNLKNLIRNVJETL-UHFFFAOYSA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine?
The IUPAC name of 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine (CID 166011179) is 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine is CC1=CNC2C(=N1)c1ccccc1-c1ccccc12.
What is the InChIKey of 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine?
The InChIKey is XNLKNLIRNVJETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-11-10-18-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17(16)19-11/h2-10,16,18H,1H3.
What are the key properties of 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine?
3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine has a molecular weight of 246.31 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,12b-dihydrophenanthro[9,10-b]pyrazine is sourced from PubChem (CID 166011179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).