3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C14H14N2 — CID 160846194

IUPAC3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1ccc2c(n1)Cc1cnc(C)c(C)c1-2
InChIInChI=1S/C14H14N2/c1-8-4-5-12-13(16-8)6-11-7-15-10(3)9(2)14(11)12/h4-5,7H,6H2,1-3H3
InChIKeyILIANHLHFVWEDU-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.97
Rot. Bonds

About 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 160846194) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID160846194
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1ccc2c(n1)Cc1cnc(C)c(C)c1-2
InChIInChI=1S/C14H14N2/c1-8-4-5-12-13(16-8)6-11-7-15-10(3)9(2)14(11)12/h4-5,7H,6H2,1-3H3
InChIKeyILIANHLHFVWEDU-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 160846194) is 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Cc1ccc2c(n1)Cc1cnc(C)c(C)c1-2.
What is the InChIKey of 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is ILIANHLHFVWEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-8-4-5-12-13(16-8)6-11-7-15-10(3)9(2)14(11)12/h4-5,7H,6H2,1-3H3.
What are the key properties of 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 210.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,11-trimethyl-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 160846194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).