5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene

C10H12N2 — CID 123401588

IUPAC5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene
SMILESCC1=CC=NC2C=C1C=CN2C
InChIInChI=1S/C10H12N2/c1-8-3-5-11-10-7-9(8)4-6-12(10)2/h3-7,10H,1-2H3
InChIKeyUGAFOBKJRTZMEM-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.73
Rot. Bonds

About 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene

5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene (PubChem CID 123401588) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene.

Molecular Properties

Compound Name5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene
PubChem CID123401588
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene
SMILESCC1=CC=NC2C=C1C=CN2C
InChIInChI=1S/C10H12N2/c1-8-3-5-11-10-7-9(8)4-6-12(10)2/h3-7,10H,1-2H3
InChIKeyUGAFOBKJRTZMEM-UHFFFAOYSA-N
XLogP1.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene?
The IUPAC name of 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene (CID 123401588) is 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene.
What is the SMILES notation for 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene?
The canonical SMILES for 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene is CC1=CC=NC2C=C1C=CN2C.
What is the InChIKey of 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene?
The InChIKey is UGAFOBKJRTZMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-3-5-11-10-7-9(8)4-6-12(10)2/h3-7,10H,1-2H3.
What are the key properties of 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene?
5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene has a molecular weight of 160.22 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-2,9-diazabicyclo[4.3.1]deca-2,4,6(10),7-tetraene is sourced from PubChem (CID 123401588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).