2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene

C10H10N2 — CID 101014635

IUPAC2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene
SMILESc1cc2c3c(c1)=NCC=3CCN2
InChIInChI=1S/C10H10N2/c1-2-8-10-7(4-5-11-8)6-12-9(10)3-1/h1-3,11H,4-6H2
InChIKeyOZEIWFQBLVQZRT-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.29
Rot. Bonds

About 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene

2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene (PubChem CID 101014635) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene.

Molecular Properties

Compound Name2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene
PubChem CID101014635
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene
SMILESc1cc2c3c(c1)=NCC=3CCN2
InChIInChI=1S/C10H10N2/c1-2-8-10-7(4-5-11-8)6-12-9(10)3-1/h1-3,11H,4-6H2
InChIKeyOZEIWFQBLVQZRT-UHFFFAOYSA-N
XLogP0.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87087142
Cyclopentaquinoxaline
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Frequently Asked Questions

What is the IUPAC name of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene?
The IUPAC name of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene (CID 101014635) is 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene.
What is the SMILES notation for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene?
The canonical SMILES for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene is c1cc2c3c(c1)=NCC=3CCN2.
What is the InChIKey of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene?
The InChIKey is OZEIWFQBLVQZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-8-10-7(4-5-11-8)6-12-9(10)3-1/h1-3,11H,4-6H2.
What are the key properties of 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene?
2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene has a molecular weight of 158.20 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazatricyclo[6.3.1.04,12]dodeca-1,4(12),8,10-tetraene is sourced from PubChem (CID 101014635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).