5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

C12H19N3 — CID 118669820

IUPAC5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCCC1C2CCc3nnn(C)c3CCC12
InChIInChI=1S/C12H19N3/c1-3-8-9-4-6-11-12(7-5-10(8)9)15(2)14-13-11/h8-10H,3-7H2,1-2H3
InChIKeyLDJPSXFYXIRBAX-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.97
Rot. Bonds1

About 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 118669820) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID118669820
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCCC1C2CCc3nnn(C)c3CCC12
InChIInChI=1S/C12H19N3/c1-3-8-9-4-6-11-12(7-5-10(8)9)15(2)14-13-11/h8-10H,3-7H2,1-2H3
InChIKeyLDJPSXFYXIRBAX-UHFFFAOYSA-N
XLogP1.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 118669820) is 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is CCC1C2CCc3nnn(C)c3CCC12.
What is the InChIKey of 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is LDJPSXFYXIRBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-8-9-4-6-11-12(7-5-10(8)9)15(2)14-13-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 205.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-12-methyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 118669820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).