2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

C12H12N2O2 — CID 70668025

IUPAC2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
SMILESCc1cc(=O)n2c3c1ccc(=O)n3C(C)C2
InChIInChI=1S/C12H12N2O2/c1-7-5-11(16)13-6-8(2)14-10(15)4-3-9(7)12(13)14/h3-5,8H,6H2,1-2H3
InChIKeyGXQFTGXXVLCXFV-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.05
Rot. Bonds

About 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione

2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione (PubChem CID 70668025) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione.

Molecular Properties

Compound Name2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
PubChem CID70668025
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
SMILESCc1cc(=O)n2c3c1ccc(=O)n3C(C)C2
InChIInChI=1S/C12H12N2O2/c1-7-5-11(16)13-6-8(2)14-10(15)4-3-9(7)12(13)14/h3-5,8H,6H2,1-2H3
InChIKeyGXQFTGXXVLCXFV-UHFFFAOYSA-N
XLogP1.05
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The IUPAC name of 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione (CID 70668025) is 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione.
What is the SMILES notation for 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The canonical SMILES for 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione is Cc1cc(=O)n2c3c1ccc(=O)n3C(C)C2.
What is the InChIKey of 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
The InChIKey is GXQFTGXXVLCXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-5-11(16)13-6-8(2)14-10(15)4-3-9(7)12(13)14/h3-5,8H,6H2,1-2H3.
What are the key properties of 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione?
2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione has a molecular weight of 216.24 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione is sourced from PubChem (CID 70668025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).