5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline

C12H14N4 — CID 2492449

IUPAC5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline
SMILESCN1CCCNc2nc3ccccc3nc21
InChIInChI=1S/C12H14N4/c1-16-8-4-7-13-11-12(16)15-10-6-3-2-5-9(10)14-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyYJLITRCYCXZSDU-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.88
Rot. Bonds

About 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline

5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline (PubChem CID 2492449) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline.

Molecular Properties

Compound Name5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline
PubChem CID2492449
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline
SMILESCN1CCCNc2nc3ccccc3nc21
InChIInChI=1S/C12H14N4/c1-16-8-4-7-13-11-12(16)15-10-6-3-2-5-9(10)14-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
InChIKeyYJLITRCYCXZSDU-UHFFFAOYSA-N
XLogP1.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline 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 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline?
The IUPAC name of 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline (CID 2492449) is 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline.
What is the SMILES notation for 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline?
The canonical SMILES for 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline is CN1CCCNc2nc3ccccc3nc21.
What is the InChIKey of 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline?
The InChIKey is YJLITRCYCXZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-16-8-4-7-13-11-12(16)15-10-6-3-2-5-9(10)14-11/h2-3,5-6H,4,7-8H2,1H3,(H,13,14).
What are the key properties of 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline?
5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline has a molecular weight of 214.27 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2,3,4-tetrahydro-[1,4]diazepino[2,3-b]quinoxaline is sourced from PubChem (CID 2492449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).