5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

C15H25N3 — CID 118582187

IUPAC5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCC(C)C1C2CCc3nnn(C(C)C)c3CCC21
InChIInChI=1S/C15H25N3/c1-9(2)15-11-5-7-13-14(8-6-12(11)15)18(10(3)4)17-16-13/h9-12,15H,5-8H2,1-4H3
InChIKeyYOGWHRRLGJDLDD-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.26
Rot. Bonds2

About 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene

5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (PubChem CID 118582187) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.

Molecular Properties

Compound Name5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
PubChem CID118582187
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene
SMILESCC(C)C1C2CCc3nnn(C(C)C)c3CCC21
InChIInChI=1S/C15H25N3/c1-9(2)15-11-5-7-13-14(8-6-12(11)15)18(10(3)4)17-16-13/h9-12,15H,5-8H2,1-4H3
InChIKeyYOGWHRRLGJDLDD-UHFFFAOYSA-N
XLogP3.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The IUPAC name of 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene (CID 118582187) is 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene.
What is the SMILES notation for 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The canonical SMILES for 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is CC(C)C1C2CCc3nnn(C(C)C)c3CCC21.
What is the InChIKey of 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
The InChIKey is YOGWHRRLGJDLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-9(2)15-11-5-7-13-14(8-6-12(11)15)18(10(3)4)17-16-13/h9-12,15H,5-8H2,1-4H3.
What are the key properties of 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene?
5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene has a molecular weight of 247.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-di(propan-2-yl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-diene is sourced from PubChem (CID 118582187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).