5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene

C13H16N2 — CID 71192554

IUPAC5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
SMILESCC1=CC2=C(NC1)C1=NC=C(C)CC1C2
InChIInChI=1S/C13H16N2/c1-8-3-10-5-11-4-9(2)7-15-13(11)12(10)14-6-8/h3,7,11,14H,4-6H2,1-2H3
InChIKeyDUWJZYWBNYMPEY-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.56
Rot. Bonds

About 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene

5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene (PubChem CID 71192554) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene.

Molecular Properties

Compound Name5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
PubChem CID71192554
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene
SMILESCC1=CC2=C(NC1)C1=NC=C(C)CC1C2
InChIInChI=1S/C13H16N2/c1-8-3-10-5-11-4-9(2)7-15-13(11)12(10)14-6-8/h3,7,11,14H,4-6H2,1-2H3
InChIKeyDUWJZYWBNYMPEY-UHFFFAOYSA-N
XLogP2.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The IUPAC name of 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene (CID 71192554) is 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene.
What is the SMILES notation for 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The canonical SMILES for 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene is CC1=CC2=C(NC1)C1=NC=C(C)CC1C2.
What is the InChIKey of 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
The InChIKey is DUWJZYWBNYMPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8-3-10-5-11-4-9(2)7-15-13(11)12(10)14-6-8/h3,7,11,14H,4-6H2,1-2H3.
What are the key properties of 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene?
5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene has a molecular weight of 200.28 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,10-tetraene is sourced from PubChem (CID 71192554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).