3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C12H16N2 — CID 118055192

IUPAC3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCC1CN2CCNCc3cccc1c32
InChIInChI=1S/C12H16N2/c1-9-8-14-6-5-13-7-10-3-2-4-11(9)12(10)14/h2-4,9,13H,5-8H2,1H3
InChIKeyZTIQJDFNBLWERZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds

About 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055192) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055192
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCC1CN2CCNCc3cccc1c32
InChIInChI=1S/C12H16N2/c1-9-8-14-6-5-13-7-10-3-2-4-11(9)12(10)14/h2-4,9,13H,5-8H2,1H3
InChIKeyZTIQJDFNBLWERZ-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene 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-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055192) is 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CC1CN2CCNCc3cccc1c32.
What is the InChIKey of 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is ZTIQJDFNBLWERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-8-14-6-5-13-7-10-3-2-4-11(9)12(10)14/h2-4,9,13H,5-8H2,1H3.
What are the key properties of 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 188.27 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).