3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene

C10H12N2 — CID 176523037

IUPAC3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene
SMILESCC1=CC=C=C2CCCN=C2N1
InChIInChI=1S/C10H12N2/c1-8-4-2-5-9-6-3-7-11-10(9)12-8/h2,4H,3,6-7H2,1H3,(H,11,12)
InChIKeySRGFIEMCZSQINY-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.77
Rot. Bonds

About 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene

3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene (PubChem CID 176523037) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene.

Molecular Properties

Compound Name3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene
PubChem CID176523037
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene
SMILESCC1=CC=C=C2CCCN=C2N1
InChIInChI=1S/C10H12N2/c1-8-4-2-5-9-6-3-7-11-10(9)12-8/h2,4H,3,6-7H2,1H3,(H,11,12)
InChIKeySRGFIEMCZSQINY-UHFFFAOYSA-N
XLogP1.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene 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-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene?
The IUPAC name of 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene (CID 176523037) is 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene.
What is the SMILES notation for 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene?
The canonical SMILES for 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene is CC1=CC=C=C2CCCN=C2N1.
What is the InChIKey of 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene?
The InChIKey is SRGFIEMCZSQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-4-2-5-9-6-3-7-11-10(9)12-8/h2,4H,3,6-7H2,1H3,(H,11,12).
What are the key properties of 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene?
3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene has a molecular weight of 160.22 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,11-diazabicyclo[5.4.0]undeca-1(11),3,5,6-tetraene is sourced from PubChem (CID 176523037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).