5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene

C11H19N3 — CID 146246705

IUPAC5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
SMILESCC1C2CCC3=C(CCC12)N(C)NN3
InChIInChI=1S/C11H19N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9,12-13H,3-6H2,1-2H3
InChIKeyPUCUDITYJDRICI-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.61
Rot. Bonds

About 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene

5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene (PubChem CID 146246705) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene.

Molecular Properties

Compound Name5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
PubChem CID146246705
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene
SMILESCC1C2CCC3=C(CCC12)N(C)NN3
InChIInChI=1S/C11H19N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9,12-13H,3-6H2,1-2H3
InChIKeyPUCUDITYJDRICI-UHFFFAOYSA-N
XLogP1.61
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene?
The IUPAC name of 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene (CID 146246705) is 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene.
What is the SMILES notation for 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene?
The canonical SMILES for 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene is CC1C2CCC3=C(CCC12)N(C)NN3.
What is the InChIKey of 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene?
The InChIKey is PUCUDITYJDRICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9,12-13H,3-6H2,1-2H3.
What are the key properties of 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene?
5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene has a molecular weight of 193.29 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodec-1(9)-ene is sourced from PubChem (CID 146246705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).