3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine

C11H12N4 — CID 130322168

IUPAC3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine
SMILESCc1c(N)n(C)c2nc3ccccn3c12
InChIInChI=1S/C11H12N4/c1-7-9-11(14(2)10(7)12)13-8-5-3-4-6-15(8)9/h3-6H,12H2,1-2H3
InChIKeyNYJLEGNXRWMVHI-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.72
Rot. Bonds

About 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine

3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine (PubChem CID 130322168) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine
PubChem CID130322168
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine
SMILESCc1c(N)n(C)c2nc3ccccn3c12
InChIInChI=1S/C11H12N4/c1-7-9-11(14(2)10(7)12)13-8-5-3-4-6-15(8)9/h3-6H,12H2,1-2H3
InChIKeyNYJLEGNXRWMVHI-UHFFFAOYSA-N
XLogP1.72
TPSA48.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine 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 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine?
The IUPAC name of 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine (CID 130322168) is 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine.
What is the SMILES notation for 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine?
The canonical SMILES for 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine is Cc1c(N)n(C)c2nc3ccccn3c12.
What is the InChIKey of 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine?
The InChIKey is NYJLEGNXRWMVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-7-9-11(14(2)10(7)12)13-8-5-3-4-6-15(8)9/h3-6H,12H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine?
3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine has a molecular weight of 200.25 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine is sourced from PubChem (CID 130322168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).