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

C11H17N3 — CID 118372144

IUPAC5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCC1C2CCc3nnn(C)c3CCC12
InChIInChI=1S/C11H17N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9H,3-6H2,1-2H3
InChIKeyORLDODHBZMZGAH-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.58
Rot. Bonds

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

5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 118372144) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID118372144
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCC1C2CCc3nnn(C)c3CCC12
InChIInChI=1S/C11H17N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9H,3-6H2,1-2H3
InChIKeyORLDODHBZMZGAH-UHFFFAOYSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 118372144) is 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is CC1C2CCc3nnn(C)c3CCC12.
What is the InChIKey of 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is ORLDODHBZMZGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7-8-3-5-10-11(6-4-9(7)8)14(2)13-12-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 191.28 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 118372144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).