1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene

C10H10N2 — CID 141130716

IUPAC1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene
SMILESC1=CC2=C(C=CC3=CCNN32)C1
InChIInChI=1S/C10H10N2/c1-2-8-4-5-9-6-7-11-12(9)10(8)3-1/h1,3-6,11H,2,7H2
InChIKeyLKSKAXNMEVMRBO-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.47
Rot. Bonds

About 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene

1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene (PubChem CID 141130716) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene.

Molecular Properties

Compound Name1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene
PubChem CID141130716
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene
SMILESC1=CC2=C(C=CC3=CCNN32)C1
InChIInChI=1S/C10H10N2/c1-2-8-4-5-9-6-7-11-12(9)10(8)3-1/h1,3-6,11H,2,7H2
InChIKeyLKSKAXNMEVMRBO-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene?
The IUPAC name of 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene (CID 141130716) is 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene.
What is the SMILES notation for 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene?
The canonical SMILES for 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene is C1=CC2=C(C=CC3=CCNN32)C1.
What is the InChIKey of 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene?
The InChIKey is LKSKAXNMEVMRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-8-4-5-9-6-7-11-12(9)10(8)3-1/h1,3-6,11H,2,7H2.
What are the key properties of 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene?
1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene has a molecular weight of 158.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9-tetraene is sourced from PubChem (CID 141130716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).