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

C11H13N3 — CID 58824542

IUPAC3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC1CC(C)c2c1nc1ncccn21
InChIInChI=1S/C11H13N3/c1-7-6-8(2)10-9(7)13-11-12-4-3-5-14(10)11/h3-5,7-8H,6H2,1-2H3
InChIKeyNCTCLIMROOFFMC-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.34
Rot. Bonds

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

3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 58824542) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID58824542
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCC1CC(C)c2c1nc1ncccn21
InChIInChI=1S/C11H13N3/c1-7-6-8(2)10-9(7)13-11-12-4-3-5-14(10)11/h3-5,7-8H,6H2,1-2H3
InChIKeyNCTCLIMROOFFMC-UHFFFAOYSA-N
XLogP2.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 58824542) is 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is CC1CC(C)c2c1nc1ncccn21.
What is the InChIKey of 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is NCTCLIMROOFFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-6-8(2)10-9(7)13-11-12-4-3-5-14(10)11/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 187.25 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 58824542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).